N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide

Base Information

• Chemical Name: N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide
• CAS No.: 14785-95-6
• Molecular Formula: C6H8 N4 O3
• Molecular Weight: 184.155
• Hs Code.: 2933599090
• European Community (EC) Number: 238-853-8
• NSC Number: 81446
• DSSTox Substance ID: DTXSID10163817
• Nikkaji Number: J227.186I
• Wikidata: Q83032802
• Mol file: 14785-95-6.mol

Synonyms:14785-95-6;N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide;N-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)formamide;n-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide;EINECS 238-853-8;NSC81446;SCHEMBL6673604;DTXSID10163817;CCG-40488;NSC 81446;NSC-81446;6-amino-1-methyl-5-(N-formylamino)uracil;A809021;N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxopyrimidin-5-yl)formamide;N-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)formamide;Cyclodecanone

Chemical Property of N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.98000
• Density: 1.53g/cm³
• LogP: -0.48580
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.05964013
• Heavy Atom Count: 13
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)NC1=O)NC=O)N

Technology Process of N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide

There total 9 articles about N-(6-Amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide 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: 96.0%

formic acid (64-18-6) + 5,6-diamino-1-methyluracil (6972-82-3) → 3-methyl-4-amino-5-formylamino-2,6-dioxypyrimidine (14785-95-6)

Guidance literature:

palladium on activated charcoal; at 39.9 ℃;

Reference yield:

6-amino-1-methyl-5-nitrosouracil (6972-78-7) → 3-methyl-4-amino-5-formylamino-2,6-dioxypyrimidine (14785-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium dithionite / aq. NH₃

With sodium dithionite; In ammonium hydroxide;

DOI:10.1016/j.tetlet.2005.11.095

Reference yield:

methyl bromide (74-83-9) + 6-amino-5-formylamino-1H-pyrimidine-2,4-dione (10184-00-6) → 3-methyl-4-amino-5-formylamino-2,6-dioxypyrimidine (14785-95-6)

Guidance literature:

With sodium hydroxide; at 85 - 100 ℃; under 20594.2 Torr;

upstream raw materials:

formic acid

5,6-diamino-1-methyluracil

methyl bromide

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

Downstream raw materials:

theobromine /

3-methylxanthine

8-bromo-3,7-dimethylxanthine

8-Mercaptotheobromin

Refernces

• 1、 Anisimova, N. V.,Toporovskaya, M. A.,Pak, A. M.. "CATALYTIC HYDROGENATION AND FORMYLATION OF 3-METHYL-4-AMINO-5-NITROSO-2,6-DIOXYPYRIMIDINE OVER PALLADIUM CATALYSTS". . p. 1223 - 1224. Retrieved 2007/10/02.