3-Phenoxybenzoyl chloride

Base Information

• Chemical Name: 3-Phenoxybenzoyl chloride
• CAS No.: 3586-15-0
• Molecular Formula: C13H9ClO2
• Molecular Weight: 232.666
• Hs Code.: 2918990090
• European Community (EC) Number: 673-221-9
• DSSTox Substance ID: DTXSID90375118
• Nikkaji Number: J32.021H
• Wikidata: Q82163653
• Mol file: 3586-15-0.mol

Synonyms:3-phenoxybenzoyl chloride;3586-15-0;MFCD03424712;Benzoyl chloride, 3-phenoxy-;3-phenoxybenzoylchloride;m-Phenoxybenzoyl chloride;m-(phenoxy)benzoylchoride;3-phenoxy benzoyl chloride;3-phenoxy-benzoyl chloride;SCHEMBL1193379;DTXSID90375118;TTZXIWBOKOZOPL-UHFFFAOYSA-N;AC5988;PS-10715;SY226925;A2096;FT-0733503;A913558

Chemical Property of 3-Phenoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 330 °C at 760 mmHg
• Flash Point: 122.4 °C
• PSA: 26.30000
• Density: 1.247g/cm³
• LogP: 3.85790
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0291072
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98%Min ^*data from raw suppliers

3-Phenoxybenzoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl

Technology Process of 3-Phenoxybenzoyl chloride

There total 16 articles about 3-Phenoxybenzoyl chloride 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:

3-phenoxybenzoic acid (3739-38-6) → 3-phenoxy-benzoyl chloride (3586-15-0)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

oxalyl dichloride (79-37-8) + 3-phenoxybenzoic acid (3739-38-6) → 3-phenoxy-benzoyl chloride (3586-15-0)

Guidance literature:

N,N-dimethyl-formamide; In dichloromethane;

Reference yield:

AR toluene + 3-phenoxybenzoic acid (3739-38-6) → 3-phenoxy-benzoyl chloride (3586-15-0)

Guidance literature:

With thionyl chloride;

upstream raw materials:

3-phenoxybenzoic acid

bromobenzene

iodobenzene

3-phenoxytoluene

Downstream raw materials:

N-Methyl-3-phenoxy-N-prop-2-ynyl-benzamide

N-(2-Chloro-ethyl)-3-phenoxy-benzamide

N-(3-Isopropoxy-propyl)-3-phenoxy-benzamide

N-Methoxy-N'-methyl-3-phenoxy-benzamid

Refernces

• 1、 Popov,Korchagina,Lobasenko,Pavel'Ev. "Synthesis of 3-phenoxyphenyl-containing 1,3-diketones". . p. 2264 - 2266. Retrieved 2014.
• 2、 Okita, Toshimasa,Muto, Kei,Yamaguchi, Junichiro. "Decarbonylative Methylation of Aromatic Esters by a Nickel Catalyst". supporting information. p. 3132 - 3135. Retrieved 2018/05/28.
• 3、 -. "REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR". Paragraph 00207. . Retrieved 2018/09/12.