2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER
• CAS No.: 118642-72-1
• Molecular Formula: C13H13 F3 O3
• Molecular Weight: 274.24
• Hs Code.: 2918300090
• Mol file: 118642-72-1.mol

Synonyms:Benzenepropanoicacid, a-(trifluoroacetyl)-, ethyl ester(9CI)

Chemical Property of 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 295°C at 760 mmHg
• Flash Point: 128.1°C
• PSA: 43.37000
• Density: 1.234g/cm³
• LogP: 2.53980

Purity/Quality:

98%min ^*data from raw suppliers

2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER

There total 11 articles about 2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL 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: 90.0%

N,N-dimethyl hydrazono-3 trifluoro-4,4,4 benzyl-2 butanoate d'ethyle (118642-63-0) → benzyl-2 trifluoroacetylacetate d'ethyle (118642-72-1)

Guidance literature:

With ethidium Bromide; In ethanol; for 48h; Heating;

DOI:10.1016/S0022-1139(00)82804-3

Reference yield: 62.0%

benzyl bromide (100-39-0) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → benzyl-2 trifluoroacetylacetate d'ethyle (118642-72-1)

Guidance literature:

With sodium hydride; potassium iodide; In acetone; for 48h; Heating;

DOI:10.1016/S0022-1139(00)82803-1

Reference yield:

ethyl dihydrocinnamate (2021-28-5) → benzyl-2 trifluoroacetylacetate d'ethyle (118642-72-1)

Guidance literature:

ethyl dihydrocinnamate; With lithium cyclohexylisopropylamide; In tetrahydrofuran; at -78 ℃; for 0.25h;

trifluoroethyl trifluoroacetate; In tetrahydrofuran; at -78 ℃; for 0.333333h;

DOI:10.1021/ol040039z

upstream raw materials:

benzyl bromide

ethyl 4,4,4-trifluoroacetoacetate

N,N-dimethyl hydrazono-3 trifluoro-4,4,4 benzyl-2 butanoate d'ethyle

benzyl chloride

Downstream raw materials:

C₁₇H₁₁F₃O₃

4-benzyl-4-carbethoxy-3-trifluoromethylcyclohex-2-enone

benzyl-2 allyl-2 trifluoroacetylacetate d'ethyle

1,1,1-trifluoro-4-phenylbutan-2-one

Refernces

• 1、 Harada, Koichiro,Kubo, Hideki,Tomigahara, Yoshitaka,Nishioka, Kazuhiko,Takahashi, Junya,Momose, Mio,Inoue, Shinichi,Kojima, Atsuyuki. "Coumarins as novel 17β-hydroxysteroid dehydrogenase type 3 inhibitors for potential treatment of prostate cancer". scheme or table. p. 272 - 275. Retrieved 2010/04/06.
• 2、 Zhang, Jidong,Didierlaurent, Stanislas,Fortin, Michel,Lefrancois, Dominique,Uridat, Eric,Vevert, Jean Paul. "Nonpeptide endothelin antagonists: From lower affinity pyrazol-5-ols to higher affinity pyrazole-5-carboxylic acids". . p. 1351 - 1355. Retrieved 2007/10/03.