Carbamic acid, N-(aminohioxomethyl)-, methyl ester

Base Information

• Chemical Name: Carbamic acid, N-(aminohioxomethyl)-, methyl ester
• CAS No.: 51863-38-8
• Molecular Formula: C3H6N2O2S
• Molecular Weight: 134.1569
• DSSTox Substance ID: DTXSID40966191
• Mol file: 51863-38-8.mol

Synonyms:51863-38-8;Carbamic acid, N-(aminohioxomethyl)-, methyl ester;SCHEMBL10331892;DTXSID40966191;AKOS006337487;N-[Hydroxy(methoxy)methylidene]carbamimidothioic acid

Chemical Property of Carbamic acid, N-(aminohioxomethyl)-, methyl ester

Chemical Property:

• PSA: 104.47000
• Density: 1.354g/cm³
• LogP: 0.51110
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 134.01499861
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC(=S)N

Technology Process of Carbamic acid, N-(aminohioxomethyl)-, methyl ester

There total 2 articles about Carbamic acid, N-(aminohioxomethyl)-, methyl ester 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: 87.0%

dimethyl 2-imino-5-phenyldihydrothiophene-3,3(2H)-dicarboxylate + thiourea (17356-08-0) → methyl carbamothioylcarbamate (51863-38-8) + methyl 2-amino-5-phenyl-4,5-dihydrothiophene-3-carboxylate (1262235-61-9)

Guidance literature:

With rubidium carbonate; ytterbium(III) triflate; In 1,2-dichloro-ethane; at 90 ℃; for 0.5h;

DOI:10.1039/c8cc09595g

Reference yield:

dimethyl 2-phenyl-1,1-cyclopropanedicarboxylate (3709-20-4) + thiourea (17356-08-0) → methyl carbamothioylcarbamate (51863-38-8) + methyl 2-amino-5-phenyl-4,5-dihydrothiophene-3-carboxylate (1262235-61-9) + methyl (Z)-2-(amino((methoxycarbonyl)amino)methylene)-4-((methoxycarbonyl)thio)-4-phenylbutanoate

Guidance literature:

(E)-2-Methyl-1-phenyl-pent-1-en-4-yn-3-ol; With dmap; triethylamine; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

pivalate derivative; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00880

Reference yield:

methyl carbamothioylcarbamate (51863-38-8) + dimethyl sulfate (77-78-1) → methyl N-(1-methylthio-1-iminomethyl)-carbamate (39259-32-0)

Guidance literature:

In water; for 0.5h; Heating;

upstream raw materials:

dimethyl 2-phenyl-1,1-cyclopropanedicarboxylate

thiourea

Downstream raw materials:

2-Benzyl-1-methoxycarbonylisothioharnstoff

methyl N-(1-methylthio-1-iminomethyl)-carbamate

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