Vinyl carbamate

Base Information

• Chemical Name: Vinyl carbamate
• CAS No.: 15805-73-9
• Molecular Formula: C3H5 N O2
• Molecular Weight: 87.09
• Hs Code.: 2924199090
• NSC Number: 133266
• UNII: 7Y2431GOM5
• DSSTox Substance ID: DTXSID3021433
• Nikkaji Number: J33.935K
• Wikidata: Q27109945
• NCI Thesaurus Code: C29864
• Metabolomics Workbench ID: 54030
• Mol file: 15805-73-9.mol

Synonyms:benzyl N-vinylcarbamate;vinyl carbamate

Chemical Property of Vinyl carbamate

Chemical Property:

• Vapor Pressure: 0.662mmHg at 25°C
• Melting Point: 52-54°C
• Refractive Index: 1.4940 (estimate)
• Boiling Point: 186.5°Cat760mmHg
• PKA: 12.66±0.50(Predicted)
• Flash Point: 103.8°C
• PSA: 52.32000
• Density: 1.084g/cm³
• LogP: 0.92550
• Storage Temp.: Refrigerator
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 87.032028402
• Heavy Atom Count: 6
• Complexity: 69.2

Purity/Quality:

99.0%Min ^*data from raw suppliers

VinylCarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=COC(=O)N
• Uses: A potent promutagen. Also mutagenic to Salmonella typhimurium TA 1535 and TA 100 in the presence of reduced nicotinamide adenine dinucleotide phosphate-fortified rat or mouse liver mitochondrial supernatant fractions A potent promutagen. Also mutagenic to Salmonella typhimurium TA 1535 and TA 100 in the presence of reduced nicotinamide adenine dinucleotide phosphate-fortified rat or mouse liver mitochondrial supernatant fractions.

Technology Process of Vinyl carbamate

There total 4 articles about Vinyl 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: 78.0%

C9H11NO3Se → vinyl carbamate (15805-73-9)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; for 3h;

DOI:10.1021/acs.jafc.0c00534

Reference yield: 45.0%

Carbamic acid 2-phenylselanyl-ethyl ester (144102-48-7) → vinyl carbamate (15805-73-9)

Guidance literature:

With ammonium cerium(IV) nitrate; silica gel; In dichloromethane; at -10 ℃; for 4.5h;

DOI:10.1016/S0040-4039(00)61291-1

Reference yield:

Vinyl chloroformate (5130-24-5) + N-(t-butyl)glycine methyl ester (53386-65-5) → vinyl carbamate (15805-73-9)

Guidance literature:

With sodium hydrogencarbonate; triethylamine; citric acid; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

Carbamic acid 2-phenylselanyl-ethyl ester

Vinyl chloroformate

N-(t-butyl)glycine methyl ester

Downstream raw materials:

3-(benzyloxycarbonyl)amino-7-hydroxy-8-methyl-2H-1-benzopyran-2-one

Refernces

• 1、 -. "Hepatitis C inhibitor tri-peptides". . . Retrieved 2008/06/13.
• 2、 AbuSbeih, Khaled,Bleasdale, Christine,Golding, Bernard T,Kitson, Sean L. "New applications of the protecting group di-(4-methoxyphenyl)methyl: N-protection of urethanes and uridines, and efficient removal by either ceric ammonium nitrate/silica or 2,3-dichloro-5,6-dicyanoquinone". . p. 4807 - 4810. Retrieved 2007/10/02.