4-Propylbenzoyl chloride

Base Information

• Chemical Name: 4-Propylbenzoyl chloride
• CAS No.: 52710-27-7
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 29163990
• European Community (EC) Number: 620-904-4
• DSSTox Substance ID: DTXSID9068790
• Nikkaji Number: J32.729H
• Wikidata: Q81995552
• Mol file: 52710-27-7.mol

Synonyms:4-Propylbenzoyl chloride;52710-27-7;4-n-Propylbenzoyl chloride;p-Propylbenzoyl chloride;Benzoyl chloride, 4-propyl-;4-n-Propylbenzoylchloride;4-Propylbenzoylchloride;4-propylbenzene-1-carbonyl chloride;4-Propyl benzoyl chloride;4-(n-propyl)benzoyl chloride;4-PROPYL-BENZOYLCHLORID;SCHEMBL1019681;DTXSID9068790;NZYPCJXREKMMCJ-UHFFFAOYSA-;4-propyl-1-benzenecarbonyl chloride;MFCD00000698;AKOS015890460;AS-58762;FT-0619439;F20464;A829216;J-515972;F0001-1360

Chemical Property of 4-Propylbenzoyl chloride

Chemical Property:

• Appearance/Colour: colourless opalescent liquid
• Vapor Pressure: 0.0182mmHg at 25°C
• Melting Point: 197-198 °C
• Refractive Index: n20/D 1.5394(lit.)
• Boiling Point: 253.5 °C at 760 mmHg
• Flash Point: 110.1 °C
• PSA: 17.07000
• Density: 1.105g/cm³
• LogP: 3.01810
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water. Soluble in hot hexane, toluene, dichloromethane.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)Cl
• Uses: 4-Propylbenzene-1-carbonyl Chloride is used to synthesize inhibitors active on B- and T-lymphoma cell lines Intermediates of Liquid Crystals

Technology Process of 4-Propylbenzoyl chloride

There total 13 articles about 4-Propylbenzoyl 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:

1-iodo-4-n-propylbenzene (126261-84-5) + 4-nitro-benzoyl chloride (122-04-3) → p-nitrobenzene iodide (636-98-6) + 4-propylbenzoyl chloride (52710-27-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 12h; Time;

DOI:10.1038/s41557-018-0078-8

Reference yield:

1-iodo-4-n-propylbenzene (126261-84-5) + 4-methoxy-benzoyl chloride (100-07-2) → para-iodoanisole (696-62-8) + 4-propylbenzoyl chloride (52710-27-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 12h; Time;

DOI:10.1038/s41557-018-0078-8

Reference yield:

1-iodo-4-n-propylbenzene (126261-84-5) + 4-chloro-benzoyl chloride (122-01-0) → 1-Chloro-4-iodobenzene (637-87-6) + 4-propylbenzoyl chloride (52710-27-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 12h; Time;

DOI:10.1038/s41557-018-0078-8

upstream raw materials:

4-n-propylbenzoic acid

oxalyl dichloride

phenylpropane

1-iodo-4-n-propylbenzene

Downstream raw materials:

(4-Butyl-phenyl)-(4-propyl-phenyl)-methanone

N,N-diethyl-4-n-propylbenzamide

benzoyl chloride

4-Propyl-benzoic acid 4-{[(E)-4-cyano-phenylimino]-methyl}-phenyl ester

Refernces

• 1、 Lee, Yong Ho,Morandi, Bill. "Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides". . p. 1016 - 1022. Retrieved 2018/09/06.
• 2、 Zhao, Chengguang,Feng, Jianpeng,Zuo, Mingming,Zhang, Ying,Zhao, Jianfeng,Xu, Shanmei,Zheng, Suqing,Zhang, Yali,Tang, Qinqin,Lu, Zhongqiu,Liang, Guang,Zhou, Jianmin. "Synthesis and biological evaluation of acetylenic chalcones as novel anti-inflammatory agents". . p. 567 - 572. Retrieved 2015/08/18.