5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Base Information

• Chemical Name: 5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
• CAS No.: 875-41-2
• Molecular Formula: C5H8 N4 O S
• Molecular Weight: 172.2082
• European Community (EC) Number: 660-035-8
• DSSTox Substance ID: DTXSID80411453
• NSC Number: 43407
• Mol file: 875-41-2.mol

Synonyms:875-41-2;5,6-diamino-1-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one;5,6-diamino-1-methyl-2-sulfanylidenepyrimidin-4-one;5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one;NSC43407;DTXSID80411453;NSC-43407;AKOS024340688;CS-0245929;EN300-313657;Z1262635405;5,6-diamino-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

Chemical Property of 5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.55g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 172.04188206
• Heavy Atom Count: 11
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

There total 6 articles about 5,6-Diamino-1-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one 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: 100.0%

6-amino-2-mercapto-1-methyl-5-nitrosopyrimidin-4(1H)-one (54030-50-1) → 5,6-diamino-2-mercapto-1-methylpyrimidin-4(1H)-one (875-41-2)

Guidance literature:

With sodium dithionite; water; sodium hydroxide; at 20 ℃; for 1.5h;

DOI:10.1021/np900183v

Reference yield:

6-amino-1-methyl-5-nitroso-2-thiouracil (54030-50-1) → 5,6-diamino-1,2,3,4-tetrahydro-1-methyl-4-oxo-2-thiopyrimidine (875-41-2)

Guidance literature:

With diammonium sulfide;

DOI:10.3390/molecules201019263

Reference yield:

6-amino-1-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (16837-08-4) → 5,6-diamino-1,2,3,4-tetrahydro-1-methyl-4-oxo-2-thiopyrimidine (875-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; acetic acid / 20 °C

2: diammonium sulfide

With diammonium sulfide; acetic acid; sodium nitrite;

DOI:10.3390/molecules201019263

upstream raw materials:

6-amino-1-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

6-amino-1-methyl-5-nitroso-2-thiouracil

6-amino-2-mercapto-1-methyl-5-nitrosopyrimidin-4(1H)-one

Downstream raw materials:

3-methyl-2-thioxo-1,2,3,7⁽⁹⁾-tetrahydro-purin-6-one

Refernces

• 1、 El-Kalyoubi, Samar,Agili, Fatmah,Youssif, Shaker. "Novel 2-thioxanthine and dipyrimidopyridine derivatives: Synthesis and antimicrobial activity". . p. 19263 - 19276. Retrieved 2015/11/27.