4-Hexyloxybenzoyl chloride

Base Information

• Chemical Name: 4-Hexyloxybenzoyl chloride
• CAS No.: 39649-71-3
• Molecular Formula: C13H17 Cl O2
• Molecular Weight: 240.73
• Hs Code.: 29189990
• European Community (EC) Number: 254-561-3
• UNII: 844TDH4A8P
• DSSTox Substance ID: DTXSID6068193
• Nikkaji Number: J28.745H
• Wikidata: Q81994905
• Mol file: 39649-71-3.mol

Synonyms:39649-71-3;4-n-Hexyloxybenzoyl chloride;4-(Hexyloxy)benzoyl chloride;4-Hexyloxybenzoyl chloride;4-hexoxybenzoyl chloride;Benzoyl chloride, 4-(hexyloxy)-;p-Hexyloxybenzoyl chloride;844TDH4A8P;EINECS 254-561-3;4-(Hexyloxy)benzoylchloride;4-hexyloxy-benzoyl chloride;UNII-844TDH4A8P;P-(hexyloxy)benzoyl chloride;4-hexyloxybenzoic acid chloride;SCHEMBL1022325;DTXSID6068193;MFCD00000690;AKOS015889285;AS-59612;FT-0618592;A824674

Chemical Property of 4-Hexyloxybenzoyl chloride

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.000145mmHg at 25°C
• Refractive Index: n20/D 1.5383(lit.)
• Boiling Point: 213-214 °C30 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.081 g/mL at 25 °C(lit.)
• LogP: 4.02470
• Sensitive.: Moisture Sensitive
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 240.0917075
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

4-N-HEXYLOXYBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-Hexyloxybenzoyl chloride

There total 21 articles about 4-Hexyloxybenzoyl 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: 91.0%

para-hexyloxybenzoic acid (1142-39-8) → 4-hexyloxybenzoyl chloride (39649-71-3)

Guidance literature:

With thionyl chloride;

DOI:10.1134/S1070428007120068

Reference yield: 66.0%

→ 4-hexyloxybenzoyl chloride (39649-71-3)

Guidance literature:

Reference yield:

methyl 4-hexyloxybenzoate (50822-54-3) → 4-hexyloxybenzoyl chloride (39649-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / methanol / Heating

2: SOCl₂ / Heating

With sodium hydroxide; thionyl chloride; In methanol; 1: Hydrolysis / 2: Chlorination;

DOI:10.1039/a910347n

upstream raw materials:

para-hexyloxybenzoic acid

1-bromo-hexane

4-hydroxy-benzoic acid

Ethyl 4-hydroxybenzoate

Downstream raw materials:

4-Hexyloxy-thiobenzoic acid S-(4-hexyl-phenyl) ester

4-Hexyloxybenzoesaeure-2-(diethylaminoethyl)-ester-hydrochlorid

4-Hexyloxy-benzoic acid 4-propionyl-phenyl ester

4-(4-hexyloxyphenyl-carbonyloxy)benzoic acid

Refernces

• 1、 Ashiq, Muhammad Naeem,Kokab, Tayyaba,Manzoor, Alia,Nisar, Jan,Shah, Aamir Hassan,Shah, Afzal,Siddiqi, Humaira Masood. "Development of tribenzamide functionalized electrochemical sensor for femtomolar level sensing of multiple inorganic water pollutants". . . Retrieved 2020.
• 2、 Kher, Seema N.,Prajapati,Makwana,Chandra, Raviprakash S.. "Dependence of mesomorphism on terminal polar group in novel azoester series". . p. 44 - 53. Retrieved 2019/10/14.