2,2,2-Trifluoroethyl phosphate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl phosphate
• CAS No.: 2805-15-4
• Molecular Formula: C₂H₄F₃O₄P
• Molecular Weight: 180.02
• Hs Code.: 2919900090
• DSSTox Substance ID: DTXSID90182329
• Nikkaji Number: J2.142.190A
• Wikidata: Q83052993
• Mol file: 2805-15-4.mol

Synonyms:2,2,2-trifluoroethyl phosphate

Chemical Property of 2,2,2-Trifluoroethyl phosphate

Chemical Property:

• Vapor Pressure: 0.0418mmHg at 25°C
• Boiling Point: 220.7°Cat760mmHg
• Flash Point: 87.3°C
• PSA: 76.57000
• Density: 1.739g/cm³
• LogP: 0.65800
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 179.97993009
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)OP(=O)(O)O

Technology Process of 2,2,2-Trifluoroethyl phosphate

There total 2 articles about 2,2,2-Trifluoroethyl phosphate 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%

2,2,2-trifluoroethyl phosphorodichloridate (462-56-6) → 2.2.2-Trifluor-ethanol-phosphorsaeureester (2805-15-4)

Guidance literature:

With silver nitrate; In acetonitrile; at 0 - 5 ℃; for 1h;

Reference yield:

2,2,2-trifluoroethanol (75-89-8) → 2.2.2-Trifluor-ethanol-phosphorsaeureester (2805-15-4)

Guidance literature:

With pyrophosphoric acid; at 90 ℃; for 16h;

DOI:10.1002/hlca.19620450663

Reference yield:

2.2.2-Trifluor-ethanol-phosphorsaeureester (2805-15-4) + cyclohexylamine (108-91-8,157973-60-9) → 2,2,2-trifluoroethyl hydrogen phosphate monocyclohexylammonium salt

Guidance literature:

Reflux;

DOI:10.1002/adsc.201800306

upstream raw materials:

2,2,2-trifluoroethanol

2,2,2-trifluoroethyl phosphorodichloridate

Refernces

• 1、 Tasnádi, Gábor,Jud, Wolfgang,Hall, Mélanie,Baldenius, Kai,Ditrich, Klaus,Faber, Kurt. "Evaluation of Natural and Synthetic Phosphate Donors for the Improved Enzymatic Synthesis of Phosphate Monoesters". supporting information. p. 2394 - 2401. Retrieved 2018/05/14.