2,2,2-Trifluoroethyl carbamate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl carbamate
• CAS No.: 461-37-0
• Molecular Formula: C3H4 F3 N O2
• Molecular Weight: 0
• Hs Code.: 2924199090
• European Community (EC) Number: 871-229-9
• DSSTox Substance ID: DTXSID70429461
• Wikidata: Q82242499
• Mol file: 461-37-0.mol

Synonyms:2,2,2-Trifluoroethyl carbamate;461-37-0;2,2,2-trifluoroethylcarbamate;SCHEMBL969952;DTXSID70429461;PBOAGYSGWIHKHA-UHFFFAOYSA-N;MFCD00460713;AKOS009092737;CS-0242020;EN300-24334;Z185587028

Chemical Property of 2,2,2-Trifluoroethyl carbamate

Chemical Property:

• Vapor Pressure: 3.223mmHg at 25°C
• Refractive Index: 1.347
• Boiling Point: 154.1°Cat760mmHg
• Flash Point: 47°C
• PSA: 53.31000
• Density: 1.407g/cm³
• LogP: 1.15780
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 143.01941286
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,2,2-Trifluoroethyl carbamate

There total 1 articles about 2,2,2-Trifluoroethyl 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: 30.0%

2,2,2-trifluoroethyl N-tosyloxycarbamate + cyclohexane (110-82-7,25012-93-5) → 2,2,2-trifluoroethyl carbamate (461-37-0) + cyclohexylcarbamic acid 2,2,2-trifluoroethyl ester

Guidance literature:

With potassium carbonate; dirhodium(II) tetrakis(triphenylacetate); In dichloromethane; at 25 ℃;

DOI:10.1021/ol062953t

Reference yield:

2,2,2-trifluoroethyl carbamate (461-37-0) + cycloleucine methyl ester hydrochloride (60421-23-0) → 1,3-diazaspiro[4.4]nonane-2,4-dione (699-51-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 100 ℃; for 4h; Sealed tube;

DOI:10.1021/acscombsci.7b00163

Reference yield:

2,2,2-trifluoroethyl carbamate (461-37-0) + methyl 1-amino-4-methylcyclohexanecarboxylate → 8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (88809-35-2,707-17-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 100 ℃; for 4h; Sealed tube;

DOI:10.1021/acscombsci.7b00163

upstream raw materials:

cyclohexane

Downstream raw materials:

N,N'-benzylidene-bis-carbamic acid bis-(2,2,2-trifluoro-ethyl ester)

1,3-diazaspiro[4.4]nonane-2,4-dione

8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Refernces