2,2,2-Trifluoroethyl crotonate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl crotonate
• CAS No.: 287957-36-2
• Molecular Formula: C₆H₇F₃O₂
• Molecular Weight: 168.116
• Hs Code.: 2916190090
• European Community (EC) Number: 807-300-8
• Nikkaji Number: J1.313.070A,J2.108.304F
• Wikidata: Q76310781
• Mol file: 287957-36-2.mol

Synonyms:2,2,2-Trifluoroethyl crotonate;287957-36-2;2,2,2-trifluoroethyl (E)-but-2-enoate;SCHEMBL21112017;ONXSXFVUGJKVRW-NSCUHMNNSA-N;MFCD04038364;AKOS006229178;(E)-2,2,2-trifluoroethyl but-2-enoate;Crotonic acid 2,2,2-trifluoroethyl ester;2-Butenoic acid 2,2,2-trifluoroethyl ester

Chemical Property of 2,2,2-Trifluoroethyl crotonate

Chemical Property:

• Boiling Point: 52-53°C 115mm
• Flash Point: 37°C
• PSA: 26.30000
• Density: 1.18
• LogP: 1.66800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 168.03981395
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)OCC(F)(F)F
• Isomeric SMILES: C/C=C/C(=O)OCC(F)(F)F

Technology Process of 2,2,2-Trifluoroethyl crotonate

There total 1 articles about 2,2,2-Trifluoroethyl crotonate 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: 50.0%

trans-chrotonyl chloride (625-35-4,3488-22-0,10487-71-5) + 2,2,2-trifluoroethanol (75-89-8) → 2,2,2-trifluoroethyl (E)-but-2-enoate (287957-36-2)

Guidance literature:

at 0 ℃; for 1h;

DOI:10.1002/ejoc.200500070

Reference yield:

2,2,2-trifluoroethyl (E)-but-2-enoate (287957-36-2) + (tert-butyldimethylsilyl)diphenylphosphine (678187-53-6) → C18H18F3O2P

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; potassium tert-butylate; triethylamine; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In 1,4-dioxane; water; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tet.2009.04.038

upstream raw materials:

trans-chrotonyl chloride

2,2,2-trifluoroethanol