Heterocyclic compound

Heterocyclic compounds are a class of organic compounds with cyclic structure. The ring-constituting atoms in the molecule, in addition to carbon, also include one or more nitrogen, sulfur, oxygen and other atoms. Those containing one ring are called single-heterocyclic compounds, such as furan, thiazole, and pyridine. Those containing two or more rings are called fused heterocyclic compounds such as quinoline and purine. The most common and most stable are five- or six-membered heterocyclic ring. Simple heterocyclic ring is capable of merging with benzene or another heterocyclic ring to form a bicyclic, tricyclic or more complex ring system. Some kinds of heterocyclic rings have features of aromatic compounds, such as being easy to participate into substitution reaction, difficult to have addition reaction and being stable to oxidant. Heterocyclic compounds are widely found in nature, such as nucleic acids, most kinds of vitamins, chlorophyll, heme, most kinds of alkaloids, pigments and so on. A fraction of the heterocyclic compounds have aromatic characteristics, such as plants coumarone, jasmonate and animals civetone. There are many synthetic pesticides that belong to such compounds such as herbicides atrazine, amitrole, CMPT, insecticide fluorine propargite, quinoline parathion, thioquinox and so on. Simple heterocyclic compound is an important raw material of organic chemical industry.

The cyclic compounds with atoms constituting the ring system, in addition to carbon atom, also containing O, S, and N heteroatom are collectively referred to as heterocyclic compounds. According to this definition, the cyclic dicarboxylic anhydride, the cyclic imide, lactones, lactides, cyclic anhydrides, lactams, and cyclic ethers, strictly speaking, also belong to heterocyclic compounds. However, due to the nature of these compounds are similar with aliphatic compound, and can easily undergo either the cyclization of the open-chain compounds or ring open reaction to be transformed into chain compounds, thus being generally attributed to the aliphatic chemistry for discussion. Therefore, heterocyclic compounds generally refer specifically to those heterocyclic compounds with relatively stable ring system but different levels of aromatic properties, namely aromatic heterocyclic compound.

The organic heterocyclic compounds belong to a large class in the three large categories of organic compounds, open chain, carbocyclic and heterocyclic organic compounds. It contains various kinds and has a large number accounting for about one-third of all known organic compounds and is also widespread in the biosphere, having close relation with the biological growth, development, reproduction, and genetic variation and so on. Common heterocyclic compounds include furan, thiophene, pyrrole, pyridine, quinoline, carbazole and so on.

These kinds of heterocyclic compounds are widely used in organic synthesis or as pharmaceuticals, pesticides, solvents and so on. They are colorless liquids with special smell or crystallization and have specific gravity being less than or close to water. They are toxic and can be soluble in some organic solvents and slightly soluble in water. In case of fire, heat, oxidants and strong acids, it can cause fire or explosion with simultaneous deposition of toxic sulfur dioxide or nitrogen oxide gas. Furan, when being exposed to the air, is capable of forming peroxides with causing an explosion during distillation. In the management of dangerous goods, according to the risk grades of fire, explosion, toxicity risk, they were classified as flammable liquids, flammable solids and organic toxic chemicals; when used in the reservoir, the first two comply danger of the A and B class while the latter one is based on class C fire danger for conducting fire management. In case of fire, we can use foam, dry powder, water mist, 1211 and carbon dioxide for fire extinguishing agents.

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Structure Chemical Name CAS MF
2-Chloro-7H-pyrrolo[2,3-d]pyriMidine-5-carbonitrile 2-Chloro-7H-pyrrolo[2,3-d]pyriMidine-5-carbonitrile 1060816-60-5 C7H3ClN4
(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine (S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine 864825-23-0 C11H13N3
N-Tosyl-5-bromo-4,7-diazaindole N-Tosyl-5-bromo-4,7-diazaindole 1201186-54-0 C13H10BrN3O2S
LYSERGOL LYSERGOL 602-85-7 C16H18N2O
1,2,3-Oxadiazole 1,2,3-Oxadiazole 288-43-7 C2H2N2O
4-(2,2':6',2''-TERPYRIDIN-4'-YL)BENZALDEHYDE 4-(2,2':6',2''-TERPYRIDIN-4'-YL)BENZALDEHYDE 138253-30-2 C22H15N3O
3-iodo-6-methyl-1H-pyrazolo[3,4-d]pyrimidine 3-iodo-6-methyl-1H-pyrazolo[3,4-d]pyrimidine 1415559-47-5 C6H5IN4
6-Allyl-8beta-carboxyergoline 6-Allyl-8beta-carboxyergoline 81409-74-7 C18H20N2O2
1-(2,2,2-Trifluoroethyl)piperazine dihydrochloride 1-(2,2,2-Trifluoroethyl)piperazine dihydrochloride 13349-91-2 C6H13F3N2Cl2
2-BROMODIBENZOTHIOPHENE 2-BROMODIBENZOTHIOPHENE 22439-61-8 C12H7BrS
4-(Trifluoromethyl)thiazole-2-carboxylic acid 4-(Trifluoromethyl)thiazole-2-carboxylic acid 944900-55-4 C5H2F3NO2S
1-[(4-FLUOROPHENYL)SULFONYL]PIPERAZINE 1-[(4-FLUOROPHENYL)SULFONYL]PIPERAZINE 27106-49-6 C10H13FN2O2S
2,4(1H,3H)-Pyrimidinedione, dihydro-3-[(4-methoxyphenyl)methyl]- 2,4(1H,3H)-Pyrimidinedione, dihydro-3-[(4-methoxyphenyl)methyl]- 2631060-00-7 C12H14N2O3
CHEMBRDG-BB 7978855 CHEMBRDG-BB 7978855 66383-54-8 C8H8BrN3O
(-)-1-[(4-Chlorophenyl) Phenylmethyl] Piperazine (-)-1-[(4-Chlorophenyl) Phenylmethyl] Piperazine 130018-88-1 C17H19ClN2
Centchroman Centchroman 31477-60-8 C30H35NO3
ethyl 4-tert-butyl-2-chloropyrimidine-5-carboxylate ethyl 4-tert-butyl-2-chloropyrimidine-5-carboxylate 863323-33-5 C11H15ClN2O2
5-Hydroxybenzo[b]furan 5-Hydroxybenzo[b]furan 13196-10-6 C8H6O2
1-BENZYL-PYRROLIDINE-3-CARBONITRILE 1-BENZYL-PYRROLIDINE-3-CARBONITRILE 10603-52-8 C12H14N2
(+)-(4S)-PHENYL-ALPHA-[(4S)-PHENYLOXAZOLIDIN-2-YLIDENE]-2-OXAZOLINE-2-ACETONITRILE (+)-(4S)-PHENYL-ALPHA-[(4S)-PHENYLOXAZOLIDIN-2-YLIDENE]-2-OXAZOLINE-2-ACETONITRILE 150639-33-1 C20H17N3O2
2,3-Diaminobenzoic acid 2,3-Diaminobenzoic acid 603-81-6 C7H8N2O2
5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole 5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole 132414-59-6 C7H14N2
2-Hydroxy-6-methyl-pyrimidine-4-carboxylic acidhydrochloride 2-Hydroxy-6-methyl-pyrimidine-4-carboxylic acidhydrochloride 1185300-30-4 C6H7ClN2O3
Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-,17-acetate,(7a,17b)- Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-,17-acetate,(7a,17b)- 875573-69-6 C34H49F5O3S
(2S)-2-(2,6-Dichlorophenyl)-1-[(1R)-1-phenylethyl]-4-imidazolidinone (2S)-2-(2,6-Dichlorophenyl)-1-[(1R)-1-phenylethyl]-4-imidazolidinone 1004754-99-7 C17H16Cl2N2O
bk-DMBDB (hydrochloride) bk-DMBDB (hydrochloride) 17763-12-1 C13H18ClNO3
2-CHLORO-5-FLUORO-4-METHOXY-6-METHYLPYRIMIDINE 2-CHLORO-5-FLUORO-4-METHOXY-6-METHYLPYRIMIDINE 1192479-35-8 C6H6ClFN2O
2-Chloro-5,6,7,8-tetrahydro-pyrido[3,4-d]pyriMidine 2-Chloro-5,6,7,8-tetrahydro-pyrido[3,4-d]pyriMidine 1196153-06-6 C7H8ClN3
(2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester (2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester 401564-36-1 C13H20N2O4S
8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one 8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one 1260585-12-3 C8H7ClF3N3O
1,4-Thioxane-1,1-dioxide 1,4-Thioxane-1,1-dioxide 107-61-9 C4H8O3S
(Z)-2-cyanoethyl 2-(4-cyano-2-methoxybenzylidene)-3-oxobutanoate (Z)-2-cyanoethyl 2-(4-cyano-2-methoxybenzylidene)-3-oxobutanoate 1050477-39-8 C16H14N2O4
4-(1-((benzyloxy)methyl)-5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile 4-(1-((benzyloxy)methyl)-5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile 837371-70-7 C21H16N6O
2-amino-5-nitro-4,6-pyrimidinedione 2-amino-5-nitro-4,6-pyrimidinedione 301315-87-7 C4H4N4O4
2-Bromo-4-methoxy-6-methylpyrimidine 2-Bromo-4-methoxy-6-methylpyrimidine 56545-10-9 C6H7BrN2O
ethyl 6-bromobenzofuran-3-carboxylate ethyl 6-bromobenzofuran-3-carboxylate 1260799-56-1 C11H9BrO3
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol (R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol 1434652-66-0 C14H20O4
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol (S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 1454847-96-1 C8H8FIO
tert-butyl((4-bromo-5-cyano-1-methyl-1H-pyrazol-3-yl)methyl)(methyl)carbamate tert-butyl((4-bromo-5-cyano-1-methyl-1H-pyrazol-3-yl)methyl)(methyl)carbamate 1454848-24-8 C12H17BrN4O2
4-Pyrimidinamine,5-(chloromethyl)-2-methyl-, hydrochloride (1:1) 4-Pyrimidinamine,5-(chloromethyl)-2-methyl-, hydrochloride (1:1) 70476-08-3 C6H9Cl2N3
2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene 2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene 55805-81-7 C20H8Br6
Tetrabenazine Tetrabenazine 58-46-8 C19H27NO3
2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE 91591-63-8 C8H6Cl2N2
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate 154942-22-0 C8H10N2O4
1-Tritylimidazole-4-carboxaldehyde 1-Tritylimidazole-4-carboxaldehyde 33016-47-6 C23H18N2O
TETRAMISOLE TETRAMISOLE C11H12N2S
tert-Butyl 2-cyanopiperidine-1-carboxylate tert-Butyl 2-cyanopiperidine-1-carboxylate 153749-89-4 C11H18N2O2
5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one 5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one 885-70-1 C12H9N3O
(S)-2-(2-fluoroethyl)piperazine (S)-2-(2-fluoroethyl)piperazine
2-Isopropylthieno[3,2-d]pyrimidin-4(3H)-one 2-Isopropylthieno[3,2-d]pyrimidin-4(3H)-one 443149-44-8 C9H10N2OS
1-ACETYL-3-BENZYLIDENE-PIPERAZINE-2,5-DIONE 1-ACETYL-3-BENZYLIDENE-PIPERAZINE-2,5-DIONE 30166-29-1 C13H12N2O3
6-AMINO-2-METHYL-2H-INDAZOLE 6-AMINO-2-METHYL-2H-INDAZOLE 50593-30-1 C8H9N3
(R)-2-(2,2,2-TRIFLUORO-ETHYL)-PIPERAZINE (R)-2-(2,2,2-TRIFLUORO-ETHYL)-PIPERAZINE 1240584-52-4 C6H11F3N2
5-Acetyl-1H-Pyrazole-3-carboxylic acid 5-Acetyl-1H-Pyrazole-3-carboxylic acid 1297537-45-1 C6H6N2O3
1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone 1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone 1116229-11-8 C13H17N3O4
3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 119736-16-2 C13H10O5
SELEXIPAG interMediate SELEXIPAG interMediate 475086-75-0 C23H27N3O
2-PhenylpyriMidine-4-carboxylic acid 2-PhenylpyriMidine-4-carboxylic acid 16879-53-1 C11H8N2O2
Ethyl 2-chloropyrazolo[1,5-a]pyriMidine-3-carboxylate Ethyl 2-chloropyrazolo[1,5-a]pyriMidine-3-carboxylate 1394003-65-6 C9H8ClN3O2
Pyrazolam Pyrazolam 39243-02-2 C16H12BrN5
4-(1-Fluoro-1-methyl-ethyl)-pyrimidine-5-carbaldehyde 4-(1-Fluoro-1-methyl-ethyl)-pyrimidine-5-carbaldehyde 1427195-14-9 C8H9FN2O
4-(3-(allyloxymethyl)phenyl)-2-chloropyrimidine 4-(3-(allyloxymethyl)phenyl)-2-chloropyrimidine 937273-29-5 C14H13ClN2O
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 851784-82-2 C15H17Cl2NO4
Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide 36770-53-3 C12H9N5O
(6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL (6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL 655233-39-9 C18H20ClN3O6S
2,5-Piperazinedione, 1-acetyl-3-(phenylmethylene)-, (3Z)- 2,5-Piperazinedione, 1-acetyl-3-(phenylmethylene)-, (3Z)- 30166-30-4 C13H12N2O3
3,5-Dibromo-1H-pyrazole 3,5-Dibromo-1H-pyrazole 67460-86-0 C3H2Br2N2
MK-4618 Pyrimidinone Acid Sodium Salt MK-4618 Pyrimidinone Acid Sodium Salt 1421271-01-3 C8H9N2NaO3
4,6-Dibromo-pyrazolo[1,5-a]pyridine-3-carbonitrile 4,6-Dibromo-pyrazolo[1,5-a]pyridine-3-carbonitrile 2068065-63-2 C8H3Br2N3
4-Pyrimidinamine, 2-chloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- 4-Pyrimidinamine, 2-chloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- 1197956-18-5 C13H14ClN3O2S
3-Bromo-11,11-dimethyl-11H-benzo[b]fluorene 3-Bromo-11,11-dimethyl-11H-benzo[b]fluorene 1674334-59-8 C19H15Br
3-Iodo-1-(1-methyl-piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 3-Iodo-1-(1-methyl-piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 1411763-96-6 C12H17IN6
2-(3,5-Dichlorophenyl)Pyrrolidine 2-(3,5-Dichlorophenyl)Pyrrolidine 887344-13-0 C10H11Cl2N
3-Ethynyl-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-Ethynyl-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1189793-01-8 C10H11N5
N'-Hydroxy-2-(pyrrolidin-1-yl)benzimidamide N'-Hydroxy-2-(pyrrolidin-1-yl)benzimidamide C11H15N3O
6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 2068065-16-5 C8H4BrN3O
2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide 201419-80-9 C5H8O8S2
(SP-4-1)-[1,3-Bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-κN)-Palladium (SP-4-1)-[1,3-Bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-κN)-Palladium 1814936-54-3 C48H70Cl5N3Pd
(R)-2-((trifluoromethoxy)methyl)piperazine (R)-2-((trifluoromethoxy)methyl)piperazine
N6-[(5-Bromothien-2-yl)methyl]adenosine N6-[(5-Bromothien-2-yl)methyl]adenosine 1706525-09-8 C15H16BrN5O4S
2,4-DICHLOROQUINOLINE 2,4-DICHLOROQUINOLINE 703-61-7 C9H5Cl2N
2,1-BENZISOXAZOLE 2,1-BENZISOXAZOLE 271-58-9 C7H5NO
Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro- Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro- 93049-38-8 C7H4ClN3O
4,5-diiodo-1-methyl-triazole 4,5-diiodo-1-methyl-triazole 1248676-71-2 C3H3I2N3
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-3,5-dihydro-3-methyl- 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-3,5-dihydro-3-methyl- 2351929-82-1 C7H6ClN3O
1-CYCLOPROPYLMETHYL-PIPERAZINE DIHYDROCHLORIDE 1-CYCLOPROPYLMETHYL-PIPERAZINE DIHYDROCHLORIDE 373608-42-5 C8H18Cl2N2
Benzenamine, 4,4',4''-(2,4,6-pyrimidinetriyl)tris- (9CI) Benzenamine, 4,4',4''-(2,4,6-pyrimidinetriyl)tris- (9CI) 136009-19-3 C22H19N5
Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate 139481-44-0 C25H21N3O3
6-(Bromomethyl)-2,4-pteridinediamine hydrobromide 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide 52853-40-4 C7H8Br2N6
3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione 827026-45-9 C13H11N3O5
7H-Pyrrolo[2,3-d]pyrimidine, 2-methyl- (7CI) 7H-Pyrrolo[2,3-d]pyrimidine, 2-methyl- (7CI) 89792-07-4 C7H7N3
Pneumocandin B0 Pneumocandin B0 135575-42-7 C50H80N8O17
2-Propenoic acid, 3-[1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]-, (2E)- 2-Propenoic acid, 3-[1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]-, (2E)- 923023-62-5 C33H32N2O9
HFPO OLIGOMER ACID FLUORIDES HFPO OLIGOMER ACID FLUORIDES 65208-35-7 C6F12O2
2-Amino-5-nitrothiazole 2-Amino-5-nitrothiazole 121-66-4 C3H3N3O2S
Benzo[d]Isothiazole Benzo[d]Isothiazole 272-16-2 C7H5NS
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride 171482-05-6 C20H19ClF7NO2
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (N-(Trifluoroacetyl)varenicline) 7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (N-(Trifluoroacetyl)varenicline) 230615-70-0 C15H12F3N3O
4-Chloro-N-methylpiperidine 4-Chloro-N-methylpiperidine 5570-77-4 C6H12ClN
4,6-Dimethyl-2-methylsulfonylpyrimidine 4,6-Dimethyl-2-methylsulfonylpyrimidine 35144-22-0 C7H10N2O2S
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