ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE

Base Information

• Chemical Name: ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE
• CAS No.: 721-63-1
• Molecular Formula: C11H11F3O2
• Molecular Weight: 232.202
• Hs Code.: 2916399090
• Mol file: 721-63-1.mol

Synonyms:Aceticacid, (a,a,a-trifluoro-p-tolyl)-, ethyl ester (7CI,8CI);Ethyl[4-(trifluoromethyl)phenyl]acetate;

Chemical Property of ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE

Chemical Property:

• Vapor Pressure: 0.04mmHg at 25°C
• Melting Point: 34-35 °C
• Refractive Index: 1.452
• Boiling Point: 239.567 °C at 760 mmHg
• Flash Point: 73.897 °C
• PSA: 26.30000
• Density: 1.208 g/cm³
• LogP: 2.81100
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

Ethyl 4-(Trifluoromethyl)phenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE

There total 17 articles about ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE 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: 95.0%

ethanol (64-17-5) + 4-Trifluoromethylphenylacetic acid (32857-62-8) → (4-trifluoromethylphenyl)acetic acid ethyl ester (721-63-1)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1039/c8cc00609a

Reference yield: 95.0%

→ (4-trifluoromethylphenyl)acetic acid ethyl ester (721-63-1)

Guidance literature:

Reference yield: 87.0%

p-trifluoromethylphenyl bromide (402-43-7) + ethyl potassium malonate (6148-64-7) → (4-trifluoromethylphenyl)acetic acid ethyl ester (721-63-1)

Guidance literature:

With dmap; bis(η3-allyl-μ-chloropalladium(II)); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,3,5-trimethyl-benzene; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.032

upstream raw materials:

p-trifluoromethylphenyl bromide

diethyl malonate

ethyl α-bromo-(4-trifluoromethylphenyl)acetate

4-trifluoromethylphenylboronic acid

Downstream raw materials:

ethyl 2-(4-(trifluoromethyl)phenyl)acrylate

1,3-diethyl 2-(4-(trifluoromethyl)phenyl)propanedioate

Refernces

• 1、 Miura, Tomoya,Murakami, Masahiro,Oku, Naoki. "Photoassisted Cross-Coupling Reaction of α-Chlorocarbonyl Compounds with Arylboronic Acids". supporting information. p. 1616 - 1619. Retrieved 2022/03/14.
• 2、 Hu, Zhiyong,Wei, Xiao-Jing,Handelmann, Jens,Seitz, Ann-Katrin,Rodstein, Ilja,Gessner, Viktoria H.,Goo?en, Lukas J.. "Coupling of Reformatsky Reagents with Aryl Chlorides Enabled by Ylide-Functionalized Phosphine Ligands". supporting information. p. 6778 - 6783. Retrieved 2021/02/01.