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

Base Information

• Chemical Name: methyl N-(1-methylthio-1-iminomethyl)-carbamate
• CAS No.: 39259-32-0
• Molecular Formula: C4H8N2O2S
• Molecular Weight: 148.186
• DSSTox Substance ID: DTXSID80960012
• Mol file: 39259-32-0.mol

Synonyms:39259-32-0;methyl N-(1-methylthio-1-iminomethyl)-carbamate;SCHEMBL8134500;DTXSID80960012;AKOS006338516;methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate;Methyl hydrogen [imino(methylsulfanyl)methyl]carbonimidate

Chemical Property of methyl N-(1-methylthio-1-iminomethyl)-carbamate

Chemical Property:

• Vapor Pressure: 0.0419mmHg at 25°C
• Boiling Point: 238.7°C at 760 mmHg
• Flash Point: 98.1°C
• Density: 1.29g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 148.03064868
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N=C(N)SC
• Isomeric SMILES: COC(=O)/N=C(\N)/SC

Technology Process of methyl N-(1-methylthio-1-iminomethyl)-carbamate

There total 10 articles about methyl N-(1-methylthio-1-iminomethyl)-carbamate 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:

S-Methylisothiourea sulfate (867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → methyl N-(1-methylthio-1-iminomethyl)-carbamate (39259-32-0)

Guidance literature:

S-Methylisothiourea sulfate; With sodium hydroxide; In water; at 0 - 60 ℃; for 2h;

methyl chloroformate; In water; at 0 - 5 ℃; for 2.5h;

Reference yield:

carbamimidothioic acid methyl ester (2986-19-8) + methyl chloroformate (79-22-1) → methyl N-(1-methylthio-1-iminomethyl)-carbamate (39259-32-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

Reference yield:

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → methyl N-[1-(amino)-1-(methylthio)methylene]carbamate (39259-32-0)

Guidance literature:

With potassium hydroxide; In water;

upstream raw materials:

2-methylisothiourea sulphate

methyl chloroformate

methyl carbamothioylcarbamate

dimethyl sulfate

Downstream raw materials:

6-Methoxycarbonylamino-7,8,13,13b-tetrahydro-5,6a,13-triaza-indeno[1,2-c]phenanthrene-7-carboxylic acid methyl ester

C₂₄H₂₅N₅O₅

C₂₄H₂₅N₅O₅

C₂₄H₂₅N₅O₅

Refernces

• 1、 -. "AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS". Page/Page column 50-51. . Retrieved 2009/06/27.
• 2、 Chern,Lee,Wise,Townsend. "Synthesis of methyl 9-benzylguanine-8-carbamate: A convenient synthesis of oxazolo[5,4-d]pyrimidines and their conversion into imidazo[4,5-d]pyrimidines via a carbodiimide-mediated rearrangement". . p. 5617 - 5622. Retrieved 2007/10/02.