4-nonylbenzoyl Chloride

Base Information

• Chemical Name: 4-nonylbenzoyl Chloride
• CAS No.: 54963-70-1
• Molecular Formula: C16H23ClO
• Molecular Weight: 266.811
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40372990
• Wikidata: Q82161053
• Mol file: 54963-70-1.mol

Synonyms:4-nonylbenzoyl Chloride;4-n-Nonylbenzoyl chloride;54963-70-1;4-(n-nonyl)benzoyl chloride;SCHEMBL269399;DTXSID40372990;OGIZCELCHIWJEP-UHFFFAOYSA-N;MFCD00156158;AKOS004908269;CS-0147089;FT-0730056;E81895

Chemical Property of 4-nonylbenzoyl Chloride

Chemical Property:

• Vapor Pressure: 3.68E-05mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 353°C at 760 mmHg
• Flash Point: 167.6°C
• PSA: 17.07000
• Density: 1.009g/cm³
• LogP: 5.35870
• Sensitive.: Moisture Sensitive
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 266.1437430
• Heavy Atom Count: 18
• Complexity: 219

Purity/Quality:

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

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

Safty Information:

• Statements: 20/21/22-34-36/37
• Safety Statements: 26-27-28-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-nonylbenzoyl Chloride

There total 7 articles about 4-nonylbenzoyl 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: 71.8%

oxalyl dichloride (79-37-8) + n-nonylbenzene (1081-77-2) → 4-Nonylbenzoesaeurechlorid (54963-70-1)

Guidance literature:

oxalyl dichloride; With aluminum (III) chloride; In dichloromethane; for 0.0833333h;

n-nonylbenzene; In dichloromethane; at 20 - 25 ℃; for 1h;

DOI:10.15227/orgsyn.061.0008

Reference yield:

4-n-Nonylbenzoic acid (38289-46-2) → 4-Nonylbenzoesaeurechlorid (54963-70-1)

Guidance literature:

With thionyl chloride;

Reference yield:

methyl 4-(non-1-yn-1-yl)benzoate (827028-03-5) → 4-Nonylbenzoesaeurechlorid (54963-70-1)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran

2: lithium hydroxide / tetrahydrofuran; water / 3 h / Reflux

3: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 0 °C / Inert atmosphere

With oxalyl dichloride; palladium 10% on activated carbon; hydrogen; N,N-dimethyl-formamide; lithium hydroxide; In tetrahydrofuran; dichloromethane; water;

DOI:10.1039/c6md00365f

upstream raw materials:

oxalyl dichloride

n-nonylbenzene

4-n-Nonylbenzoic acid

4-iodobenzoic acid

Downstream raw materials:

4-(n-nonyl)benzaldehyde

4-nonylbenzamide

2-{1-[4-methyl-2-(4-nonylphenyl)thiazol-5-yl]ethylidene}hydrazinecarboximidamide

1-[4-methyl-2-(4-nonylphenyl)thiazol-5-yl]ethanone

Refernces

• 1、 Stephens, Matthew D.,Yodsanit, Nisakorn,Melander, Christian. "Potentiation of the fosmidomycin analogue FR 900098 with substituted 2-oxazolines against Francisella novicida". supporting information. p. 1952 - 1956. Retrieved 2016/10/22.
• 2、 Kohne, Bernd,Praefcke, Klaus,Stephan, Werner,Nuernberg, Peter. "Discotic Liquid Crystals: Relation between Molecular Structure and Discogenic Properties of Disk-shaped Compounds, Non-liquid Crystalline Esters of myo-Inositol and Mytilitol". . p. 981 - 986. Retrieved 2007/10/02.