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
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid 112811-72-0 C14H11F2NO4
1-(4-Bromophenyl)piperazine 1-(4-Bromophenyl)piperazine 66698-28-0 C10H13BrN2
(2R)-2-(Diphenylmethyl)pyrrolidine Hydrochloride (2R)-2-(Diphenylmethyl)pyrrolidine Hydrochloride 23627-61-4 C17H20ClN
2-Chloro-4,5,7-trimethylquinoline 2-Chloro-4,5,7-trimethylquinoline 329210-71-1 C12H12ClN
11,12-Dihydroindolo[2,3-a]carbazole 11,12-Dihydroindolo[2,3-a]carbazole 60511-85-5 C18H12N2
10-Hydroxybenzo[h]quinoline 10-Hydroxybenzo[h]quinoline 33155-90-7 C13H9NO
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 1240948-77-9 C11H7FN2
4-fluoro-2-Methoxy-5-nitroaniline 4-fluoro-2-Methoxy-5-nitroaniline 1075705-01-9 C7H7FN2O3
(2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone (2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone 915095-87-3 C17H14ClIO3
(Z)-Methyl 2-ethoxy-3-((2'-(N'-hydroxycarbaMiMidoyl)biphenyl-4-yl)Methyl)-3H-benzo[d] iMidazole-4-carboxylate (Z)-Methyl 2-ethoxy-3-((2'-(N'-hydroxycarbaMiMidoyl)biphenyl-4-yl)Methyl)-3H-benzo[d] iMidazole-4-carboxylate 147403-65-4 C25H24N4O4
tert-butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate tert-butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate 692058-21-2 C11H19F3N2O2
5-Methylpyridine-2,3-dicarboxylic acid dimethyl ester 5-Methylpyridine-2,3-dicarboxylic acid dimethyl ester 112110-16-4 C10H11NO4
1-Methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]-piperazine 1-Methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]-piperazine 694499-24-6 C13H16F3N3O2
Dimethyl  Furan-2,5-dicarboxylate Dimethyl Furan-2,5-dicarboxylate 4282-32-0 C8H8O5
2,3-DIHYDRO-2-THIOXO-PYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE 2,3-DIHYDRO-2-THIOXO-PYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE 412341-42-5 C7H5N3OS
thiadiazole thiadiazole 288-48-2 C2H2N2S
7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine 7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine 882521-63-3 C6H5BrN4
xylocytidine xylocytidine 3530-56-1 C9H13N3O5
4H-Pyrido[1,2-a]pyriMidin-4-one,2-hydroxy-9-Methyl- 4H-Pyrido[1,2-a]pyriMidin-4-one,2-hydroxy-9-Methyl- 17326-09-9 C9H8N2O2
1-(1-Benzothiophen-4-yl)piperazine hydrochloride 1-(1-Benzothiophen-4-yl)piperazine hydrochloride 913614-18-3 C12H15ClN2S
2-BroMo-5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole 2-BroMo-5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole 1257220-44-2 C27H20BrN
3-Bromo-1-tert-butyl-1H-pyrazolo-[3,4-d]pyrimidin-4-amine 3-Bromo-1-tert-butyl-1H-pyrazolo-[3,4-d]pyrimidin-4-amine 862728-61-8 C9H12BrN5
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate (2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate 338990-31-1 C18H26ClN3O6
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile 1240948-72-4 C11H6ClFN2
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid 1211443-58-1 C12H12ClN3O2
phenyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate phenyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate 379270-35-6 C15H18N5O4P
4-chloro- Benzo[b]thiophene 4-chloro- Benzo[b]thiophene 66490-33-3 C8H5ClS
tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate tert-Butyl 4-formyl-5-methoxy-7-methyl-1H-indole-1-carboxylate 1481631-51-9 C16H19NO4
Ethyl 3-broMopyrazolo[1,5-a]pyriMidine-2-carboxylate Ethyl 3-broMopyrazolo[1,5-a]pyriMidine-2-carboxylate 1394004-05-7 C9H8BrN3O2
2-Chloro-5-methyl-1,4-phenylenediamine 2-Chloro-5-methyl-1,4-phenylenediamine 5307-03-9 C7H9ClN2
Indole-3-carbinol Indole-3-carbinol 700-06-1 C9H9NO
5-isothiocyanato-3-(trifluoromethyl)picolinonitrile 5-isothiocyanato-3-(trifluoromethyl)picolinonitrile 951753-87-0 C8H2F3N3S
1-Bromodibenzothiophene 1-Bromodibenzothiophene 65642-94-6 C12H7BrS
5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride 1289646-93-0 C10H10Cl3NO2
Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate 174072-89-0 C14H14N2O4S
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 4815-28-5 C9H12N2OS
3-amino-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione 3-amino-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione 67304-67-0 C7H9N5O2
6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid 6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid 2089381-00-8 C9H7BrN2O3
1,4-PIPERAZINEDICARBONYL CHLORIDE 1,4-PIPERAZINEDICARBONYL CHLORIDE 4858-84-8 C6H8Cl2N2O2
1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)- 1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)- 385802-84-6 C18H26N2O5
(S)-2-((trifluoromethoxy)methyl)piperazine dihydrochloride (S)-2-((trifluoromethoxy)methyl)piperazine dihydrochloride
4-(4-NITROPHENYL)MORPHOLIN-3-ONE 4-(4-NITROPHENYL)MORPHOLIN-3-ONE 446292-04-2 C10H10N2O4
2-METHANESULFONYL-PYRIMIDINE 2-METHANESULFONYL-PYRIMIDINE 14161-09-2 C5H6N2O2S
5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID 1077-94-7 C8H5BrN2O2
TERT-BUTYL (4-OXOCYCLOHEXYL) METHYLCARBAMATE TERT-BUTYL (4-OXOCYCLOHEXYL) METHYLCARBAMATE 809273-70-9 C12H21NO3
4-HYDROXY-2-METHYLPYRIMIDINE-5-CARBOXYLIC ACID 4-HYDROXY-2-METHYLPYRIMIDINE-5-CARBOXYLIC ACID 18529-69-6 C6H6N2O3
4-(difluoromethyl)pyrimidin-2-amine 4-(difluoromethyl)pyrimidin-2-amine 1780891-13-5 C5H5F2N3
4,6-dimethoxy-2-methyl-5-nitropyrimidine 4,6-dimethoxy-2-methyl-5-nitropyrimidine 29939-34-2 C7H9N3O4
7-chloro-1H-imidazo[4,5-b]pyridine 7-chloro-1H-imidazo[4,5-b]pyridine 6980-11-6 C6H4ClN3
5-Chlorothiophene-2-ylmethanol 5-Chlorothiophene-2-ylmethanol 74168-69-7 C5H5ClOS
2,3,3-Trimethyl-3H-indole-5-sulfonic acid 2,3,3-Trimethyl-3H-indole-5-sulfonic acid 132557-72-3 C11H13NO3S
1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4 -oxo-quinoline-3-carboxylic acid 1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4 -oxo-quinoline-3-carboxylic acid 354812-41-2 C21H24FN3O4
1-fluoropyridine trifluoromethyl sulfonate 1-fluoropyridine trifluoromethyl sulfonate
4-METHOXY-1H-INDAZOL-3-AMINE 4-METHOXY-1H-INDAZOL-3-AMINE 886362-07-8 C8H9N3O
2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester 2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester 1246372-66-6 C12H16BN3O2
5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile 330792-70-6 C16H12N4O
4-(2-(4-MorpholinophenylaMino)pyriMidin-4-yl)benzoic acid 4-(2-(4-MorpholinophenylaMino)pyriMidin-4-yl)benzoic acid 945749-71-3 C21H20N4O3
3-Ethoxy-4-methoxy benzonitrile 3-Ethoxy-4-methoxy benzonitrile 60758-86-3 C10H11NO2
4-(4-Chloro-2-thienyl)-2-thiazolamine 4-(4-Chloro-2-thienyl)-2-thiazolamine 570407-10-2 C7H5ClN2S2
5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride 5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride 1338707-67-7 C8H11ClN2
sacubitril sacubitril 1038924-61-6 C17H17NO
Octenyl succinic anhydride Octenyl succinic anhydride 26680-54-6 C12H18O3
(R)-1-benzyl-5-methyl-1,4-diazepane (R)-1-benzyl-5-methyl-1,4-diazepane 1620097-06-4 C13H20N2
4,6-Dichloro-2-isobutylpyrimidine 4,6-Dichloro-2-isobutylpyrimidine 1164116-18-0 C8H10Cl2N2
3-Bromo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid 3-Bromo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid 1823918-84-8 C8H5BrN2O2
Methyl 2-(hydroxymethyl)nicotinate Methyl 2-(hydroxymethyl)nicotinate 1697289-97-6 C8H9NO3
4-Fluoro-5-isoquinolinesulfonyl chloride hydrochloride (1:1) 4-Fluoro-5-isoquinolinesulfonyl chloride hydrochloride (1:1) 906820-08-4 C9H5Cl3FNO2S
7-(Benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione 7-(Benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione 1370250-39-7 C17H17N3O4
3-Cyano-1,2,4-triazole 3-Cyano-1,2,4-triazole 3641-10-9 C3H2N4
1-Hydroxyethylethoxypiperazine 1-Hydroxyethylethoxypiperazine 13349-82-1 C8H18N2O2
4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester 158407-04-6 C11H20BrNO2
7-Hydroxyquinolinone 7-Hydroxyquinolinone 70500-72-0 C9H7NO2
4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline 99010-64-7 C14H14ClN3
BMK Glycidic Acid (sodium salt) BMK Glycidic Acid (sodium salt) 5449-12-7 C10H11NaO3
4,6-dichloro-2-cyclobutylpyrimidine 4,6-dichloro-2-cyclobutylpyrimidine 1353856-95-7 C8H8Cl2N2
2 6-BIS[(4S 5S)-4-METHYL-5-PHENYL-2-OXA& 2 6-BIS[(4S 5S)-4-METHYL-5-PHENYL-2-OXA& 185346-20-7 C25H23N3O2
Benzonitrile, 3-(2-amino-6-chloro-4-pyrimidinyl)-2-methyl- Benzonitrile, 3-(2-amino-6-chloro-4-pyrimidinyl)-2-methyl- 2239278-05-6 C12H9ClN4
(S)-2-(2,2,2-trifluoroethyl)piperazine dihydrochloride (S)-2-(2,2,2-trifluoroethyl)piperazine dihydrochloride
2-Morpholino-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid 2-Morpholino-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid 933686-76-1 C9H11N3O4
4-Pyrimidinecarboxylic acid 4-Pyrimidinecarboxylic acid 31462-59-6 C5H4N2O2
4-(3-Chlorophenyl)-2-(4-nitrophenoxy)-1,3,2-dioxaphosphinane 2-oxide 4-(3-Chlorophenyl)-2-(4-nitrophenoxy)-1,3,2-dioxaphosphinane 2-oxide 883989-27-3 C15H13ClNO6P
Pyrimidine, 2-chloro-4-(4-chlorophenoxy)-5-fluoro- Pyrimidine, 2-chloro-4-(4-chlorophenoxy)-5-fluoro- 1503263-51-1 C10H5Cl2FN2O
Ethyl-2-Ethoxy-1-[[(2'-Cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-Carboxylate Ethyl-2-Ethoxy-1-[[(2'-Cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-Carboxylate 139481-41-7 C26H23N3O3
2,4,6,8-Tetrahydroxy-Pyrimido-(5,4D)Pyrimidine 2,4,6,8-Tetrahydroxy-Pyrimido-(5,4D)Pyrimidine 6713-54-8 C6H4N4O4
1,4-Diazepan-5-one hydrochloride 1,4-Diazepan-5-one hydrochloride 208245-76-5 C5H11ClN2O
Piperazine, 1-(cyclobutylmethyl)- (9CI) Piperazine, 1-(cyclobutylmethyl)- (9CI) 82534-54-1 C9H18N2
N-desethyl Etonitazene N-desethyl Etonitazene 2732926-26-8 C20H24N4O3
Nicotinic Acid Riboside Nicotinic Acid Riboside 17720-18-2 C11H13NO6
2-(PIPERAZIN-1-YL)-ACETIC ACID H2O 2-(PIPERAZIN-1-YL)-ACETIC ACID H2O 37478-58-3 C6H12N2O2
NA NA
(4S)-3-[(5R)-5-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL]-4-PHENYL-1,3-OXAZOLIDIN-2-ONE (4S)-3-[(5R)-5-(4-FLUOROPHENYL)-5-HYDROXYPENTANOYL]-4-PHENYL-1,3-OXAZOLIDIN-2-ONE 189028-95-3 C20H20FNO4
1-(5-Bromo-3-pyridyl)piperazine 1-(5-Bromo-3-pyridyl)piperazine 412347-30-9 C9H12BrN3
2-mercapto-3,5-dimethylthieno[2,3-d]pyrimidin-4(3H)-one 2-mercapto-3,5-dimethylthieno[2,3-d]pyrimidin-4(3H)-one 51486-14-7 C8H8N2OS2
2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine 230615-51-7 C13H12F3NO
2,7-DIAZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 2,7-DIAZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 236406-49-8 C12H22N2O2
(S)-4-Methyl-2,5-oxazolidonedione (S)-4-Methyl-2,5-oxazolidonedione 2224-52-4 C4H5NO3
2,2'-BIPYRIMIDINE 2,2'-BIPYRIMIDINE 34671-83-5 C8H6N4
4,6-DICHLORO-2-(4-FLUOROPHENYL)PYRIMIDINE 4,6-DICHLORO-2-(4-FLUOROPHENYL)PYRIMIDINE 83217-30-5 C10H5Cl2FN2
(7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate (7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate 875573-66-3 C29H43BrO3
3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester 3-Amino-5-bromo-thiophene-2-carboxylic acid methyl ester 107818-55-3 C6H6BrNO2S
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