3-Chlorophenyl acetate

Base Information

• Chemical Name: 3-Chlorophenyl acetate
• CAS No.: 13031-39-5
• Molecular Formula: C8H7 Cl O2
• Molecular Weight: 170.595
• Hs Code.: 2915390090
• European Community (EC) Number: 603-403-5
• DSSTox Substance ID: DTXSID60879335
• Nikkaji Number: J47.052J
• Wikidata: Q63393587
• ChEMBL ID: CHEMBL456664
• Mol file: 13031-39-5.mol

Synonyms:3-Chlorophenyl acetate;13031-39-5;Acetic acid, 3-chlorophenyl ester;1-ACETOXY-3-CHLOROBENZENE;3-CHLOROPHENOL ACETATE;(3-chlorophenyl) acetate;Acetic acid,3-chlorophenyl ester;MFCD00142577;m-chlorophenyl acetate;5-acetoxyphenyl chloride;3-Chlorophenyl acetate #;Acetic acid 3-chlorophenyl;SCHEMBL337714;CHEMBL456664;DTXSID60879335;AKOS006241749;BS-15111;SY224191;CS-0111923;Y11318;A806064;Q63393587

Chemical Property of 3-Chlorophenyl acetate

Chemical Property:

• Vapor Pressure: 0.0487mmHg at 25°C
• Boiling Point: 235.9°C at 760 mmHg
• Flash Point: 109.5°C
• PSA: 26.30000
• Density: 1.227g/cm³
• LogP: 2.26530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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%min ^*data from raw suppliers

3-Chlorophenylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC=C1)Cl

Technology Process of 3-Chlorophenyl acetate

There total 25 articles about 3-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: 99.0%

3-monochlorophenol (108-43-0) + acetic anhydride (108-24-7) → 3-chlorophenyl acetate (13031-39-5)

Guidance literature:

With Zn(N⁴,N^4'-di(pyridin-4-yl)biphenyl-4,4'-dicarboxamide)(5-aminoisophthalate); In dichloromethane; at 20 ℃; for 14h;

DOI:10.1039/c7nj02021j

Reference yield: 91.0%

3-monochlorophenol (108-43-0) + acetyl chloride (75-36-5) → 3-chlorophenyl acetate (13031-39-5)

Guidance literature:

In pyridine; at 20 ℃; for 16h;

DOI:10.1007/s00706-007-0676-4

Reference yield: 88.0%

m-chlorophenyltrimethylsilane (4405-42-9) + acetic acid (64-19-7,77671-22-8) → 3-chlorophenyl acetate (13031-39-5)

Guidance literature:

With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene; at 80 ℃; for 17h;

DOI:10.1021/acs.orglett.5b02336

upstream raw materials:

3-monochlorophenol

acetic anhydride

3-chlorobenzenediazonium tetrafluoroborate

acetic acid

Downstream raw materials:

Phenyl acetate

N-Acetylimidazole

3-monochlorophenol

1-(2-chloro-4-hydroxyphenyl)ethan-1-one

Refernces

• 1、 Seth, Saona,Venugopalan, Paloth,Moorthy, Jarugu Narasimha. "Porous coordination polymers of diverse topologies based on a twisted tetrapyridylbiaryl: Application as nucleophilic catalysts for acetylation of phenols". . p. 2241 - 2249. Retrieved 2015.
• 2、 Um, Ik-Hwan,Yoon, Hye-Won,Lee, Jeoung-Sook,Moon, Hyun-Jeung,Kwon, Dong-Sook. "Effect of Solvent on the α-Effect: Nucleophilic Substitution Reactions of p-Nitrophenyl Acetate with m-Chlorophenoxide and Benzohydroxamates in MeCN-H2O Mixtures of Varying Compositions". . p. 5939 - 5944. Retrieved 1997.
• 3、 -. "TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE". Page/Page column 111. . Retrieved 2020/05/15.
• 4、 Sarief, Abdulla,Haque, SK Manirul,Feroze, Syed Mudabbir,Arifuddin, Mohammed. "Werner transition-metal complex (WTMC)-mediated mild and efficient chemo-selective acylation of phenols and anilines under solvent-free condition". . p. 1104 - 1109. Retrieved 2018/09/27.