2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester
• CAS No.: 252061-10-2
• Molecular Formula: C12H11F3O2
• Molecular Weight: 244.213
• DSSTox Substance ID: DTXSID50460559
• Nikkaji Number: J1.238.371A
• Wikidata: Q82284636
• Mol file: 252061-10-2.mol

Synonyms:252061-10-2;2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester;SCHEMBL16672682;DTXSID50460559;2-trifluoromethyl acrylic acid phenethyl ester

Chemical Property of 2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 244.07111408
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(=O)OCCC1=CC=CC=C1)C(F)(F)F

Technology Process of 2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester

There total 2 articles about 2-Propenoic acid, 2-(trifluoromethyl)-, 2-phenylethyl ester 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: 92.0%

2-phenylethanol (60-12-8) + 2-(trifluoromethyl)acrylic chloride (90715-73-4) → 2-trifluoromethylacrylic acid phenethyl ester (252061-10-2)

Guidance literature:

With pyridine; In dichloromethane; at -20 ℃; for 2h;

DOI:10.1135/cccc20021479

Reference yield:

trifluoromethyacrylic acid (381-98-6) + 2-phenylethanol (60-12-8) → 2-trifluoromethylacrylic acid phenethyl ester (252061-10-2)

Guidance literature:

trifluoromethyacrylic acid; With Phthaloyl dichloride;

2-phenylethanol; With pyridine; In dichloromethane;

DOI:10.1021/jo052434o

Reference yield: 88.0%

Methoxyacetone (5878-19-3) + 2-trifluoromethylacrylic acid phenethyl ester (252061-10-2) → 4-methoxy-5-oxo-2-trifluoromethylhexanoic acid phenethyl ester

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; L-proline; at 20 ℃; for 60h;

DOI:10.1016/j.jfluchem.2004.01.028

upstream raw materials:

2-phenylethanol

2-(trifluoromethyl)acrylic chloride

trifluoromethyacrylic acid

Downstream raw materials:

2-phenethyl 3,3-difluoro-2-methylpropionate

Refernces

• 1、 Yamazaki, Takashi,Ichige, Tatsuro,Kitazume, Tomoya. "Convenient preparation of 2-phenylethyl 3,3-difluoro-2-methylpropionate". . p. 1479 - 1485. Retrieved 2007/10/03.