3-(Chlorocarbonyl)phenyl acetate

Base Information

• Chemical Name: 3-(Chlorocarbonyl)phenyl acetate
• CAS No.: 16446-73-4
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.606
• European Community (EC) Number: 689-448-1
• DSSTox Substance ID: DTXSID00514632
• Nikkaji Number: J674.224F
• Wikidata: Q82375077
• Mol file: 16446-73-4.mol

Synonyms:3-(chlorocarbonyl)phenyl acetate;16446-73-4;Benzoyl chloride, 3-(acetyloxy)-;(3-carbonochloridoylphenyl) acetate;m-acetoxybenzoyl chloride;starbld0022696;3-acetoxybenzoyl chloride;SCHEMBL539733;3-acetoxybenzoic acid chloride;DTXSID00514632;NCOUTKLISVDYKS-UHFFFAOYSA-N;3-(Acetoxy)benzoyl chloride, 97%;MFCD09836723;AKOS005067655;acetic acid 3-chlorocarbonyl-phenyl ester;SY261871;3-(CARBONOCHLORIDOYL)PHENYL ACETATE

Chemical Property of 3-(Chlorocarbonyl)phenyl acetate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Chlorocarbonyl)phenyl acetate

There total 7 articles about 3-(Chlorocarbonyl)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: 100.0%

3-acetoxybenzoic acid (6304-89-8) → 3-(chlorocarbonyl)phenyl acetate (16446-73-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In diethyl ether;

Reference yield: 100.0%

→ 3-(chlorocarbonyl)phenyl acetate (16446-73-4)

Guidance literature:

Reference yield:

3-Carboxyphenol (99-06-9) → 3-(chlorocarbonyl)phenyl acetate (16446-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: thionyl chloride

With sodium hydroxide; thionyl chloride;

DOI:10.1021/jo01199a008

upstream raw materials:

3-acetoxybenzoic acid

3-Carboxyphenol

3-methyl-phenol

3-acetoxytoluene

Downstream raw materials:

3-acetyl-2-ethylbenzofuran

(3-acetoxy-phenyl)-(2-ethyl-benzofuran-3-yl)-ketone

4-(3-acetoxy-benzoyloxy)-coumarin

3-acetoxy-4'-methoxy-benzophenone

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