4-Phenoxybenzoyl chloride

Base Information

• Chemical Name: 4-Phenoxybenzoyl chloride
• CAS No.: 1623-95-6
• Molecular Formula: C13H9ClO2
• Molecular Weight: 232.666
• Hs Code.: 2918999090
• European Community (EC) Number: 216-610-7
• UNII: YCQ4UM7NR5
• DSSTox Substance ID: DTXSID0061828
• Nikkaji Number: J94.788A
• Wikidata: Q72500977
• Mol file: 1623-95-6.mol

Synonyms:4-Phenoxybenzoyl chloride;1623-95-6;Benzoyl chloride, 4-phenoxy-;p-Phenoxybenzoyl chloride;4-Phenoxybenzoylchloride;YCQ4UM7NR5;Benzoyl chloride, p-phenoxy-;EINECS 216-610-7;p-phenoxybenzoylchloride;UNII-YCQ4UM7NR5;4-phenoxy benzoyl chloride;4-phenoxy-benzoyl chloride;4-phenoxybenzoyl chlo-ride;SCHEMBL21786;DTXSID0061828;MFCD00043966;AKOS015848436;MS-22346;FT-0633715;EN300-24758;N12694;F2190-0161

Chemical Property of 4-Phenoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 331.4 °C at 760 mmHg
• Flash Point: 122.9 °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: 228

Purity/Quality:

99% ^*data from raw suppliers

4-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=C(C=C2)C(=O)Cl

Technology Process of 4-Phenoxybenzoyl chloride

There total 15 articles about 4-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: 100.0%

4-Phenoxybenzoic acid (2215-77-2) → 4-phenoxybenzoyl chloride (1623-95-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 70 ℃; for 3h;

Reference yield: 89.0%

→ S-[5-Oxo-1-(4-phenoxybenzoyl)-3-pyrrolidinyl]ethanethioate (262288-55-1) + 4-phenoxybenzoyl chloride (1623-95-6)

Guidance literature:

Reference yield:

iodobenzene (591-50-4) → 4-phenoxybenzoyl chloride (1623-95-6)

Guidance literature:

Multi-step reaction with 3 steps

1: copper-powder / 160 - 190 °C

2: potassium permanganate; water

3: phosphorus (V)-chloride

With potassium permanganate; phosphorus pentachloride; water; copper;

upstream raw materials:

4-Phenoxybenzoic acid

4-phenoxyacetophenone

bromobenzene

iodobenzene

Downstream raw materials:

4-Phenoxy-benzoyl isocyanate

2-(4-phenoxy-benzoylamino)-thiazole-5-carboxylic acid ethyl ester

N-methoxy-N-methyl-4-phenoxybenzamide

tert-butyl 3-(5-amino-4-cyano-3-(4-phenoxyphenyl)-1H-pyrazol-1-yl)-piperidine-1-carboxylate

Refernces

• 1、 Isshiki, Ryota,Kurosawa, Miki B.,Muto, Kei,Yamaguchi, Junichiro. "Ni-Catalyzed Aryl Sulfide Synthesis through an Aryl Exchange Reaction". supporting information. p. 10333 - 10340. Retrieved 2021/07/21.
• 2、 Li, Bin,Pei, Chunzhe,Wang, Baiquan,Zong, Jiarui. "Ni-Catalyzed Direct Carboxylation of Aryl C?H Bonds in Benzamides with CO2". supporting information. . Retrieved 2021/12/08.