2-Chlorophenyl acetate

Base Information

• Chemical Name: 2-Chlorophenyl acetate
• CAS No.: 4525-75-1
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29153900
• European Community (EC) Number: 812-487-4
• NSC Number: 404080
• UNII: Y42KQ85XSG
• DSSTox Substance ID: DTXSID20196454
• Nikkaji Number: J33.480D
• Wikidata: Q63392338
• Mol file: 4525-75-1.mol

Synonyms:2-Chlorophenyl acetate;4525-75-1;o-Acetoxychlorobenzene;o-Chlorophenyl acetate;Acetic acid, 2-chlorophenyl ester;(2-chlorophenyl) acetate;Phenol, o-chloro-, acetate;ACETIC ACID, o-CHLOROPHENYL ESTER;2-CHLOROPHENYLACETATE;NSC 404080;o-Chlorfenylester kyseliny octove;Acetic Acid 2-Chlorophenyl Ester;BRN 1865639;o-Chlorfenylester kyseliny octove [Czech];AI3-17248;NSC-404080;4-06-00-00794 (Beilstein Handbook Reference);o-Chlorfenylester kyseliny octove (czech);1-Acetoxy-2-chlorobenzene;chlorophenol acetate;WLN: GR BOV1;2-chloro-2-phenyl-acetate;Y42KQ85XSG;SCHEMBL198168;DTXSID20196454;MFCD01632281;NSC404080;AKOS002952583;C2120;FT-0635344;D89493;4Y-0976;A826751;J-509163;Q63392338

Chemical Property of 2-Chlorophenyl acetate

Chemical Property:

• Appearance/Colour: colourless Liquid
• Vapor Pressure: 0.0598mmHg at 25°C
• Melting Point: -20 °C
• Refractive Index: 1.515-1.517
• Boiling Point: 232.2 °C at 760 mmHg
• Flash Point: 106.7 °C
• PSA: 26.30000
• Density: 1.227 g/cm³
• LogP: 2.26530
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

2-Chlorophenyl Acetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1Cl
• Uses: 2-Chlorophenyl Acetate (cas# 4525-75-1) is a compound useful in organic synthesis.

Technology Process of 2-Chlorophenyl acetate

There total 20 articles about 2-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%

2-monochlorophenol (95-57-8) + acetyl chloride (75-36-5) → 2-chlorophenyl acetate (4525-75-1)

Guidance literature:

With pyridine; In dichloromethane; at 20 - 25 ℃; for 4h;

DOI:10.1016/j.ejmech.2012.09.049

Reference yield: 98.0%

2-monochlorophenol (95-57-8) + acetic anhydride (108-24-7) → 2-chlorophenyl acetate (4525-75-1)

Guidance literature:

samarium(III) trifluoromethanesulfonate; at 20 ℃; for 0.25h;

DOI:10.1080/07328300801991245

Reference yield: 90.0%

1-(2-chlorophenyl)ethanone (2142-68-9) → methyl chlorobenzoate (610-96-8) + 2-chlorophenyl acetate (4525-75-1)

Guidance literature:

With hydrogenchloride; In chloroform; at 20 ℃; for 12h;

DOI:10.1080/00397910801997835

upstream raw materials:

2-monochlorophenol

acetic anhydride

4-formylphenyl acetate

2-chlorophenoxide ion

Downstream raw materials:

ethyl 2-(2-acetyl-6-chlorophenoxy)propionate

1-chloro-2-(cyclohexyloxy)benzene

Phenyl acetate

Refernces

• 1、 Bhatia, Richa Kaur,Coutinho, Evans C.,Garg, Ruchika,Kancherla, Satyavathi,Kaur, Maninder,Madan, Jitender,Pissurlenkar, Raghuvir R. S.,Singh, Lakhwinder,Yadav, Manmohan. "Novel p-functionalized chromen-4-on-3-yl chalcones bearing astonishing boronic acid moiety as MDM2 inhibitor: Synthesis, cytotoxic evaluation and simulation studies". . p. 212 - 228. Retrieved 2020/03/10.
• 2、 Liu, Xinlei,Wang, Weiwei,Zhao, Yu,Lai, Daowan,Zhou, Ligang,Liu, Zhilong,Wang, Mingan. "Total Synthesis and Structure Revision of Palmarumycin B6". . p. 1803 - 1809. Retrieved 2018/09/10.