2,2,2-trichloroethyl N-methylcarbamate

Base Information

• Chemical Name: 2,2,2-trichloroethyl N-methylcarbamate
• CAS No.: 28126-22-9
• Molecular Formula: C₄H₆Cl₃NO₂
• Molecular Weight: 206.456
• NSC Number: 164562
• DSSTox Substance ID: DTXSID70304204
• Wikidata: Q82049975
• Mol file: 28126-22-9.mol

Synonyms:2,2,2-trichloroethyl N-methylcarbamate;28126-22-9;NSC164562;SCHEMBL968360;DTXSID70304204;AKOS024339999;NSC-164562

Chemical Property of 2,2,2-trichloroethyl N-methylcarbamate

Chemical Property:

• Vapor Pressure: 0.0442mmHg at 25°C
• Boiling Point: 237.7°C at 760 mmHg
• Flash Point: 97.6°C
• Density: 1.463g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.946412
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)OCC(Cl)(Cl)Cl

Technology Process of 2,2,2-trichloroethyl N-methylcarbamate

There total 2 articles about 2,2,2-trichloroethyl N-methylcarbamate 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: 99.0%

2,2,2,-trichloroethoxycarbonyl azide + acetic acid (64-19-7,77671-22-8) → 2,2,2-trichloroethyl methylcarbamate (28126-22-9)

Guidance literature:

With dmap; copper diacetate; In acetonitrile; at 80 ℃; for 0.416667h; Schlenk technique; Sealed tube;

DOI:10.1002/anie.202010974

Reference yield:

methylamine (74-89-5) + 2,2,2-Trichloroethyl chloroformate (17341-93-4) → 2,2,2-trichloroethyl methylcarbamate (28126-22-9)

Guidance literature:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2,2-trichloroethyl methylcarbamate (28126-22-9) + sodium 4-methylbenzenesulfinate (824-79-3) → N-Methyl-N-p-toluolsulfonylmethylcarbaminsaeure-2,2,2-trichloraethylester (28126-26-3)

Guidance literature:

With formic acid;

upstream raw materials:

methylamine

2,2,2-Trichloroethyl chloroformate

acetic acid

Downstream raw materials:

N-Methyl-N-p-toluolsulfonylmethylcarbaminsaeure-2,2,2-trichloraethylester

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