Ethyl 3,3,3-trifluoropropanoate

Base Information

• Chemical Name: Ethyl 3,3,3-trifluoropropanoate
• CAS No.: 352-23-8
• Molecular Formula: C5H7F3O2
• Molecular Weight: 156.105
• Hs Code.: 29159000
• European Community (EC) Number: 674-882-6
• DSSTox Substance ID: DTXSID40382039
• Nikkaji Number: J1.238.356H
• Wikidata: Q72477575
• Mol file: 352-23-8.mol

Synonyms:AC 2307;AC-2307;AC2307;davalintide

Chemical Property of Ethyl 3,3,3-trifluoropropanoate

Chemical Property:

• Melting Point: 109 °C
• Refractive Index: 1.3912
• Boiling Point: 100.1 °C at 760 mmHg
• Flash Point: 8.5 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.50190
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.03981395
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

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

ethyl3,3,3-trifluoropropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 10
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(F)(F)F
• Recent ClinicalTrials: Study to Examine Safety, Tolerability and Effect on Body Weight of Subcutaneous AC2307 in Obese or Overweight Subjects

Technology Process of Ethyl 3,3,3-trifluoropropanoate

There total 19 articles about Ethyl 3,3,3-trifluoropropanoate 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: 88.0%

ethanol (64-17-5) + 3,3,3-Trifluoropropionic acid (2516-99-6) → ethyl 3,3,3-trifluoropropanoate (352-23-8)

Guidance literature:

With tungsten(VI) oxide; at 85 ℃; for 7.16667h; Temperature; Time; Industrial scale;

Reference yield: 87.0%

ethanol (64-17-5) → ethyl 3,3,3-trifluoropropanoate (352-23-8)

Guidance literature:

2H-pentafluoropropene; With chlorosulfonic acid; at 40 ℃; for 6h;

ethanol; at -10 - 20 ℃;

Reference yield: 82.7%

α-hydrohexafluoroisobutyric acid ethyl ester (339-74-2) → ethyl 3,3,3-trifluoropropanoate (352-23-8)

Guidance literature:

With water; triethylamine; at 90 - 100 ℃;

DOI:10.1016/j.jfluchem.2015.06.005

upstream raw materials:

1,1,1-trifluoro-3-diazo-2-oxopropane

ethanol

propionyl fluoride

hydrogen ethyl malonate

Downstream raw materials:

3,3,3-Trifluoropropionic acid

ethyl (E)-3-phenyl-3-fluoro-2-propenoate

Refernces

• 1、 -. "Method for preparing 3,3,3-trifluoro ethyl propionate". Paragraph 0004; 0012; 0013; 0014; 0015; 0016; 0017. . Retrieved 2016/10/10.
• 2、 Luzina, Elena L.,Popov, Anatoliy V.. "Synthesis of 3,3,3-trifluoroethyl isocyanate, carbamate and ureas. Anticancer activity evaluation of N-(3,3,3-trifluoroethyl)-N′-substituted ureas". . p. 82 - 88. Retrieved 2015/06/25.