6-Amino-5-formamido-1,3-dimethyluracil

Base Information

• Chemical Name: 6-Amino-5-formamido-1,3-dimethyluracil
• CAS No.: 7597-60-6
• Molecular Formula: C7H10 N4 O3
• Molecular Weight: 198.181
• Hs Code.: 2933599090
• European Community (EC) Number: 231-501-4
• NSC Number: 42307
• UNII: AT170UTH0F
• DSSTox Substance ID: DTXSID90226873
• Nikkaji Number: J307.891D
• Wikidata: Q27274104
• Mol file: 7597-60-6.mol

Synonyms:7597-60-6;6-Amino-5-formamido-1,3-dimethyluracil;n-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide;N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)formamide;UNII-AT170UTH0F;AT170UTH0F;6-Amino-5-1,3-dimethyl-5-(formamido)uracil;EINECS 231-501-4;NSC-42307;EC 231-501-4;NSC42307;MLS006011500;DTXSID90226873;CHEBI:176452;MFCD00068888;NSC 42307;AKOS006271838;CS-T-02645;SB56801;AS-75857;CAFFEINE IMPURITY B [EP IMPURITY];SMR004703279;1,3-dimethyl-4-amino-5-formylaminouracil;CS-0234395;THEOPHYLLINE IMPURITY C [EP IMPURITY];D83110;EN300-141445;SR-01000945013;1,3-DIMETHYL-4-AMINO-5-(FORMYLAMINO)URACIL;6-AMINO-1,3-DIMETHYL-5-(FORMYLAMINO)URACIL;SR-01000945013-1;CAFFEINE MONOHYDRATE IMPURITY B [EP IMPURITY];Q27274104;THEOPHYLLINE MONOHYDRATE IMPURITY C [EP IMPURITY];Z1198149955;LC-tDDA;CE10;N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ormamide;6-AMINO-1,3-DIMETHYL-5-(FORMYLAMINO)PYRIMIDINE-2,4-DIONE;FORMAMIDE, N-(6-AMINO-1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-2,4-DIOXO-5-PYRIMIDINYL)-;N-[(6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxopyrimidin)-5-yl]formamide

Chemical Property of 6-Amino-5-formamido-1,3-dimethyluracil

Chemical Property:

• Vapor Pressure: 5.37E-05mmHg at 25°C
• Melting Point: 265-267℃
• Boiling Point: 347.5°C at 760 mmHg
• PKA: 12.58±0.20(Predicted)
• Flash Point: 163.9°C
• PSA: 99.12000
• Density: 1.46±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: -0.47540
• Storage Temp.: -20°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.07529019
• Heavy Atom Count: 14
• Complexity: 336

Purity/Quality:

98% ^*data from raw suppliers

1,3-Dimethyl-4-amino-5-(formylamino)uracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)NC=O)N

Technology Process of 6-Amino-5-formamido-1,3-dimethyluracil

There total 20 articles about 6-Amino-5-formamido-1,3-dimethyluracil which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

formic acid (64-18-6) + 4,5-Diamino-1,3-dimethyluracil (5440-00-6) → 1,3-dimethyl-4-amino-5-(formylamino)uracil (7597-60-6)

Guidance literature:

With tetrabutyl-ammonium chloride; at 60 ℃; for 0.5h; Reagent/catalyst; Temperature;

Reference yield:

formic acid (64-18-6) + 6-Amino-1,3-dimethylbarbituric acid (6642-31-5) → 1,3-dimethyl-4-amino-5-(formylamino)uracil (7597-60-6)

Guidance literature:

formic acid; 6-Amino-1,3-dimethylbarbituric acid; With sodium nitrite; at 0 - 20 ℃; for 4h;

With platinum on carbon; at 30 ℃; for 5h; Temperature; Reagent/catalyst;

Reference yield:

formic acid (64-18-6) + 1,3-dimethyl-6-iminouracil (17743-04-3) → 1,3-dimethyl-4-amino-5-(formylamino)uracil (7597-60-6)

Guidance literature:

formic acid; 1,3-dimethyl-6-iminouracil; With sodium nitrite; at 0 - 20 ℃; for 4h;

With platinum on carbon; at 30 ℃; for 5h; Temperature; Reagent/catalyst;

upstream raw materials:

6-Amino-1,3-dimethylbarbituric acid

formamide

6-amino-5-formylamino-1H-pyrimidine-2,4-dione

1-methyl-4-nitrosobenzene

Downstream raw materials:

theophylline

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

4,5-Diamino-1,3-dimethyluracil

theophylline sodium salt

Refernces

• 1、 -. "Preparation method of theophylline sodium salt". . . Retrieved 2020/09/08.
• 2、 -. "Method for synthesizing caffeine". Paragraph 0058-0059. . Retrieved 2021/01/04.