Ethyl 2-(4-fluorophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-fluorophenyl)acetate
• CAS No.: 587-88-2
• Molecular Formula: C10H11 F O2
• Molecular Weight: 182.195
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90207400
• Nikkaji Number: J445.732C
• Wikidata: Q83081302
• Mol file: 587-88-2.mol

Synonyms:ethyl 2-(4-fluorophenyl)acetate;587-88-2;4-FLUOROPHENYLACETIC ACID ETHYL ESTER;Ethyl 4-fluorophenylacetate;(4-Flurophenyl) acetic acid ethyl ester;Benzeneacetic acid, 4-fluoro-, ethyl ester;(4-Flurophenyl)acetic acid ethyl ester;MFCD08235152;Ethyl 4-fluorobenzeneacetate;Ethyl (p-fluorophenyl)acetate;ethyl (4-fluorophenyl)acetate;Acetic acid, (p-fluorophenyl)-, ethyl ester;Ethyl2-(4-fluorophenyl)acetate;ethyl p-fluorophenylacetate;SCHEMBL1626240;DTXSID90207400;VMWJHHAOVXQCLE-UHFFFAOYSA-N;AR2996;4-Fluorobenzeneacetic acid ethyl ester;AKOS005259153;AM82987;CS-W022645;GS-4515;(4-fluorophenyl)acetic acid ethyl ester;SY021383;FT-0736188;EN300-130231;A832022;J-501410;Z53835949

Chemical Property of Ethyl 2-(4-fluorophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.0655mmHg at 25°C
• Melting Point: 29 °C
• Boiling Point: 230.5°Cat760mmHg
• Flash Point: 90.7°C
• PSA: 26.30000
• Density: 1.118g/cm³
• LogP: 1.93130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

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

Ethyl2-(4-fluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(C=C1)F

Technology Process of Ethyl 2-(4-fluorophenyl)acetate

There total 20 articles about Ethyl 2-(4-fluorophenyl)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: 100.0%

ethanol (64-17-5) + p-Fluorophenylacetic acid (405-50-5) → ethyl 2-(4-fluorophenyl)acetate (587-88-2)

Guidance literature:

toluene-4-sulfonic acid; for 0.5h; Heating / reflux;

Reference yield: 99.0%

ethanol (64-17-5) + 4-Fluorophenylacetyl chloride (459-04-1) → ethyl 2-(4-fluorophenyl)acetate (587-88-2)

Guidance literature:

at 20 ℃; for 14h;

DOI:10.1021/ol701720m

Reference yield: 93.0%

triethyl borate (150-46-9) + 1-chloromethyl-4-fluorobenzene (352-11-4) → ethyl 2-(4-fluorophenyl)acetate (587-88-2)

Guidance literature:

With potassium iodide; <1,5-HDRhCl>2;

DOI:10.1016/S0040-4039(00)95072-X

upstream raw materials:

ethanol

p-Fluorophenylacetic acid

ethyl 3-phenyl-2-propenoate

2-(4-fluorophenyl)acetamide

Downstream raw materials:

(4-fluoro-phenyl)-acetic acid-(2-hydroxy-ethylamide)

tris-(4-fluoro-phenyl)-ethene

2-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine

2-amino-benzenethiol

Refernces

• 1、 Chai, Jianqi,Chen, Min,Jin, Fei,Kong, Xiangyi,Wang, Xiaobin,Xue, Wei,Yang, Chunlong. "Expedient discovery for novel antifungal leads: 1,3,4-Oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment". . . Retrieved 2021/08/03.
• 2、 Ann, Jihyae,Bahrenberg, Gregor,Blumberg, Peter M.,Choi, Sun,Christoph, Thomas,Do, Nayeon,Frank-Foltyn, Robert,Ha, Heejin,Jeong, Jin Ju,Kang, Jin Mi,Kim, Changhoon,Kwon, Sun Ok,Lee, Jeewoo,Lee, Sunho,Lesch, Bernhard,Stockhausen, Hannelore,Vu, Thi Ngoc Lan,Yoon, Sanghee. "2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists". . . Retrieved 2021/07/28.