| Identification | More | [Name]
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione | [CAS]
6642-31-5 | [Synonyms]
1,3-DIMETHYL-2,6-DIOXO-4-AMINOTETRAHYDROPYRIMIDINE
1,3-DIMETHYL-4-AMINOURACIL
1,3-DIMETHYL-6-AMINOURACIL
4-AMINO-1,3-DIMETHYL-2,6-DIHYDROXYPYRIMIDINE
4-AMINO-1,3-DIMETHYLURACIL
6-AMINO-1,3-DIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
6-AMINO-1,3-DIMETHYL-2,4(1H,3H)-DIONE
6-AMINO-1,3-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE
6-AMINO-1,3-DIMETHYLURACIL
6-AMINO-1,3-DIMETHYLURICIL
AURORA KA-4912
SPECS AB-323/25048015
TIMTEC-BB SBB004028
3h)-pyrimidinedione,6-amino-1,3-dimethyl-4(1h
6-amino-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione
6-Amino-1,3-dimethyl-2,4-pyrimidinedione
6-amino-1,3-dimethyl-uraci
6-Imino-1,3-dimethyluracil
6-AMINO-1,3-DIMETHYLURACIL,6-AMINO-1,3-DIMETHYL-2,4(1H,3H)-DIONE
Amino-1,3-dimethyluracil,6- | [EINECS(EC#)]
229-662-0 | [Molecular Formula]
C6H9N3O2 | [MDL Number]
MFCD00006552 | [Molecular Weight]
155.15 | [MOL File]
6642-31-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
295 °C (dec.) (lit.) | [Boiling point ]
243.1±43.0 °C(Predicted) | [density ]
1.288±0.06 g/cm3(Predicted) | [vapor pressure ]
0Pa at 25℃ | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
6g/l | [form ]
Solid | [pka]
5.17±0.70(Predicted) | [color ]
Pale Beige | [PH]
6.9 (100g/l, H2O, 20℃) | [Water Solubility ]
7.06g/L(25 ºC) | [InChI]
1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3 | [InChIKey]
VFGRNTYELNYSKJ-UHFFFAOYSA-N | [SMILES]
CN1C(N)=CC(=O)N(C)C1=O | [LogP]
-0.4 at 20℃ | [CAS DataBase Reference]
6642-31-5(CAS DataBase Reference) | [EPA Substance Registry System]
6642-31-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332 | [Precautionary statements ]
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
1
| [RTECS ]
YQ8755000
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29335990 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Acetic anhydride-->1,3-Dimethylurea-->2-cyano-N-methyl-N-[(methylamino)carbonyl]acetamide-->6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde-->Solvent Yellow 93-->6-Aminouracil-->5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one-->Iodomethane-->Cyanoacetic acid-->Ethanol | [Preparation Products]
1,3,7-Trimethyluric acid-->Nifekalant hydrochloride-->6-Amino-5-(2-chloro-acetyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione-->4,6-Dimethyl-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione-->2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]--->Methanimidamide, N,N-dimethyl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)--->8-Dimethylaminotheophylline |
| Hazard Information | Back Directory | [Chemical Properties]
Crystallizes (water). Melting point 295°C (293°C). Decomposes. | [Uses]
6-Amino-1,3-dimethyluracil is used as a reagent in the synthesis of new pyrimidine and caffeine derivatives that display highly potential antitumor activity. It is also used as a starting material in the synthesis of fused pyrido-pyrimidines. | [Synthesis]
General procedure for the synthesis of 1,3-dimethyl-6-aminouracil from 4-amino-2,6-dihydroxypyrimidine and iodomethane: 4-amino-2,6-dihydroxypyrimidine (1.27 g, 10 mmol) was added to a pre-heated ethanol solution (50 ml) containing KOH (0.56 g, 10 mmol) and heated continuously for 40 min. After completion of the reaction, the mixture was cooled to room temperature followed by addition of iodomethane (20 mmol). The reaction mixture was stirred under heating conditions for 8 hours, after which it was cooled to room temperature. The reaction mixture was poured into cold distilled water (100 ml) to induce precipitation of the final product 1,3-dimethyl-6-aminouracil. The precipitate was collected by filtration and washed with distilled water (100 ml). Finally, recrystallization from methanol gave 1,3-dimethyl-6-aminouracil in yellow crystalline form. | [References]
[1] Letters in Drug Design and Discovery, 2015, vol. 12, # 6, p. 471 - 478
[2] DRP/DRBP Org.Chem.,
[3] Patent: CN104744471, 2016, B. Location in patent: Paragraph 0026; 0027; 0028 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)MS
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)1HNMR
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)13CNMR
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)IR1
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)IR2
6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)Raman
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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