Ethyl (4-chlorophenyl)acetate

Base Information

• Chemical Name: Ethyl (4-chlorophenyl)acetate
• CAS No.: 14062-24-9
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 29153900
• European Community (EC) Number: 237-906-2
• NSC Number: 368009
• UNII: YG77BUS8B8
• DSSTox Substance ID: DTXSID40161447
• Nikkaji Number: J216.843J
• Wikidata: Q83029853
• Mol file: 14062-24-9.mol

Synonyms:Ethyl 4-chlorophenylacetate;14062-24-9;Ethyl (4-chlorophenyl)acetate;ethyl 2-(4-chlorophenyl)acetate;Benzeneacetic acid, 4-chloro-, ethyl ester;4-chlorophenyl acetic acid ethyl ester;Ethyl p-chlorophenylacetate;EINECS 237-906-2;MFCD00018791;4-Chlorobenzeneacetic acid ethyl ester;NSC-368009;(4-chloro-phenyl)-acetic acid ethyl ester;Ethyl 4-chlorobenzeneacetate;ethyl 4-chloro-phenylacetate;YG77BUS8B8;Ethyl 4-chlorophenyl acetate;SCHEMBL703931;DTXSID40161447;4-chlorophenylacetic acid ethyl ester;NSC368009;p-Chlorophenylacetic acid ethyl ester;AKOS008901062;CS-W022691;NSC 368009;(4-chlorophenyl)-acetic acid ethyl ester;AS-18108;SY030471;2-(4-Chlorophenyl)acetic acid ethyl ester;FT-0637001;(4-CHLOROPHENYL)ACETIC ACID ETHYL ESTER;O11742;A885812;W-108200

Chemical Property of Ethyl (4-chlorophenyl)acetate

Chemical Property:

• Appearance/Colour: colorless low melting solid
• Vapor Pressure: 0.0137mmHg at 25°C
• Melting Point: 32-34 °C
• Refractive Index: 1.518
• Boiling Point: 258.4 °C at 760 mmHg
• Flash Point: 118.3 °C
• PSA: 26.30000
• Density: 1.163 g/cm³
• LogP: 2.44560
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%min ^*data from raw suppliers

Ethyl4-chlorophenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl (4-chlorophenyl)acetate

There total 38 articles about Ethyl (4-chlorophenyl)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%

4-chlorophenylacetic Acid (1878-66-6) + ethanol (64-17-5) → 4-chloro-benzeneacetic acid, ethyl ester (14062-24-9)

Guidance literature:

With sulfuric acid; In benzene; for 6h; Reflux;

Reference yield: 99.0%

4-chlorophenylacetic Acid (1878-66-6) + ethyl iodide (75-03-6) → 4-chloro-benzeneacetic acid, ethyl ester (14062-24-9)

Guidance literature:

With 1,5-diazabicyclo[5.4.0]-undec-7-ene; In N,N-dimethyl-formamide; at 0 ℃;

DOI:10.1016/j.bmc.2005.04.055

Reference yield: 98.0%

ethanol (64-17-5) + (E)-2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-chlorophenyl)ethenyl trifluoromethanesulfonate (314765-27-0) → 4-chloro-benzeneacetic acid, ethyl ester (14062-24-9)

Guidance literature:

(E)-2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-chlorophenyl)ethenyl trifluoromethanesulfonate; With sodium methylate; In acetonitrile; at 20 - 65 ℃;

ethanol; With hydrogenchloride; Further stages.;

DOI:10.1021/ol0002370

upstream raw materials:

4-chlorophenylacetic Acid

ethanol

2-(p-Chlorphenyl)-1-methylsulfinyl-1-methylthio-ethylen

1-Phenylsulfinyl-1-methylthio-2-(p-chlor-phenyl)-ethylen

Downstream raw materials:

ethyl α-formyl-4-chlorophenylacetate

2-(4-Chloro-phenyl)-3-hydroxy-propionic acid ethyl ester

ethyl 2-(4-chlorophenyl)acrylate

trans-3-(4-chlorophenyl)-4-phenylpiperidin-2-one

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、 Chen, Fen-Er,Chen, Tao,Cheng, Fei,Huang, Yin-Qiu,Li, Jia-Wei,Xiao, Xiao,Zhou, Chen. "Copper-Catalyzed Ullmann-Type Coupling and Decarboxylation Cascade of Arylhalides with Malonates to Access α-Aryl Esters". supporting information. . Retrieved 2022/01/04.