2,2,2-Trichloroethyl carbamate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl carbamate
• CAS No.: 107-69-7
• Molecular Formula: C3H4 Cl3 N O2
• Molecular Weight: 192.429
• Hs Code.: 2924199090
• European Community (EC) Number: 203-511-9
• UNII: 32RC648BOP
• DSSTox Substance ID: DTXSID20147860
• Nikkaji Number: J5.062H
• Wikidata: Q27256186
• Mol file: 107-69-7.mol

Synonyms:2,2,2-Trichloroethyl carbamate;Trichlorourethan;107-69-7;Voluntal;Trichloroethyl carbamate;Trichlorourethane;EINECS 203-511-9;C3H4Cl3NO2;BRN 1762058;Ethanol, 2,2,2-trichloro-, carbamate;UNII-32RC648BOP;Ethanol,2,2,2-trichloro-, 1-carbamate;32RC648BOP;CARBAMIC ACID, 2,2,2-TRICHLOROETHYL ESTER;2,2,2-trichlorethylcarbamat;TRICHLOROURETHAN [MI];SCHEMBL114113;2,2,2-trichloroethylcarbamate;2,2,2-tri-chloroethyl carbamate;DTXSID20147860;AKOS033870040;LS-50678;EN300-256609;ETHANOL, 2,2,2-TRICHLORO-, 1-CARBAMATE;Q27256186;Z1255439046

Chemical Property of 2,2,2-Trichloroethyl carbamate

Chemical Property:

• Vapor Pressure: 0.00339mmHg at 25°C
• Melting Point: 64-65°
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 282.3°Cat760mmHg
• Flash Point: 124.5°C
• PSA: 53.31000
• Density: 1.611g/cm³
• LogP: 1.96570
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.930761
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2-TrichloroethylCarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OC(=O)N

Technology Process of 2,2,2-Trichloroethyl carbamate

There total 10 articles about 2,2,2-Trichloroethyl 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: 100.0%

2,2,2-Trichloroethyl chloroformate (17341-93-4) → Voluntal (107-69-7)

Guidance literature:

With ammonium hydroxide; at 0 ℃;

DOI:10.1021/ol901151u

Reference yield: 83.0%

→ Voluntal (107-69-7)

Guidance literature:

Reference yield: 64.0%

isocyanate de chlorosulfonyle (1189-71-5) + 1,1,1-trichloroethanol (115-20-8) → Voluntal (107-69-7)

Guidance literature:

isocyanate de chlorosulfonyle; 1,1,1-trichloroethanol; In toluene; at 0 ℃; for 2h;

With water;

DOI:10.1002/chem.200702027

upstream raw materials:

phosgene

1,1,1-trichloroethanol

carbamic chloride

benzyl 2,2,2-trichloroethylimidodicarbonate

Downstream raw materials:

4-dimethylamino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one; compound with carbamic acid-(β.β.β-trichloro-ethyl ester)

1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[5-fluoro-2-(1-methyl-1H-pyrazolo[3,4-c]pyridin-5-yloxy)-benzyl]-urea

1,3,4,6-tetra-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranose

1,3,4,6-tetra-O-acetyl-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-α-D-glucopyranoside

Refernces

• 1、 Dion, Amélie,Pollack, Scott R.. "Metal-Free Stereoselective Synthesis of (E)- And (Z)-N-Monosubstituted β-Aminoacrylates via Condensation Reactions of Carbamates". . p. 11748 - 11762. Retrieved 2021/09/07.
• 2、 Gwon, Donghyeon,Hwang, Heejun,Kim, Hye Kyung,Marder, Seth R.,Chang, Sukbok. "Synthesis of 8-Aminoquinolines by Using Carbamate Reagents: Facile Installation and Deprotection of Practical Amidating Groups". supporting information. p. 17200 - 17204. Retrieved 2016/01/25.