Phenyl 2,2,2-trifluoroethyl Carbonate

Base Information

• Chemical Name: Phenyl 2,2,2-trifluoroethyl Carbonate
• CAS No.: 152899-11-1
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.148
• European Community (EC) Number: 810-691-8
• Mol file: 152899-11-1.mol

Synonyms:Phenyl 2,2,2-trifluoroethyl Carbonate;SCHEMBL321643

Chemical Property of Phenyl 2,2,2-trifluoroethyl Carbonate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 220.03472857
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)OCC(F)(F)F

Technology Process of Phenyl 2,2,2-trifluoroethyl Carbonate

There total 2 articles about Phenyl 2,2,2-trifluoroethyl Carbonate 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-trifluoroethanol (75-89-8) + phenyl chloroformate (1885-14-9) → 2,2,2-trifluoroethyl phenyl carbonate (152899-11-1)

Guidance literature:

With pyridine;

DOI:10.1021/jo00077a068

Reference yield:

2,2,2-trifluoroethanol (75-89-8) + phenyl chloroformate (1885-14-9) → 2,2,2-trifluoroethyl phenyl carbonate (152899-11-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With water; at 25 ℃; Rate constant; various contents of water;

DOI:10.1039/a701140g

Reference yield:

4-(aminomethyl)-N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-5,8,9,11-tetrahydro-4H-pyrido[2,3]pyrazolo[2,4-d][1,2,5]oxadiazepine-10-carboxamide + 2,2,2-trifluoroethyl phenyl carbonate (152899-11-1) → 2,2,2-trifluoroethyl ((10-((3-chloro-4-fluorophenyl)carbamoyl)-2-methyl-1-oxo-1,2,4,5,8,9,10,11-octahydropyrido[4’,3’:3,4]pyrazolo[5,1-d][1,2,5]oxadiazepin-4-yl)methyl)carbamate

Guidance literature:

With triethylamine; In tetrahydrofuran; at 45 ℃; for 16h;

upstream raw materials:

2,2,2-trifluoroethanol

phenyl chloroformate

Downstream raw materials:

(4-Methoxy-benzyl)-carbamic acid 2,2,2-trifluoro-ethyl ester

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