Docosanoyl chloride

Base Information

• Chemical Name: Docosanoyl chloride
• CAS No.: 21132-76-3
• Molecular Formula: C22H43 Cl O
• Molecular Weight: 359.036
• Hs Code.: 2915900090
• European Community (EC) Number: 606-710-2
• DSSTox Substance ID: DTXSID20399367
• Nikkaji Number: J26.700G
• Wikidata: Q82201867
• Mol file: 21132-76-3.mol

Synonyms:Docosanoyl chloride;Behenoyl chloride;21132-76-3;docosanoylchloride;Behenoylchloride;behenic chloride;behenic acid chloride;SCHEMBL926253;DTXSID20399367;QTHQYNCAWSGBCE-UHFFFAOYSA-N;Behenoyl chloride, >=99.0% (GC);FT-0638097;J-013870

Chemical Property of Docosanoyl chloride

Chemical Property:

• Vapor Pressure: 2.72E-06mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 390.1°C at 760 mmHg
• Flash Point: 194.7°C
• PSA: 17.07000
• Density: 0.897g/cm³
• LogP: 8.57370
• Storage Temp.: −20°C
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 358.3002437
• Heavy Atom Count: 24
• Complexity: 252

Purity/Quality:

98%Min ^*data from raw suppliers

BEHENOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)Cl

Technology Process of Docosanoyl chloride

There total 3 articles about Docosanoyl 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: 93.2%

n-docosanoic acid (112-85-6) → docosanoyl chloride (21132-76-3)

Guidance literature:

With phosgene; at 95 ℃; for 48h;

Reference yield:

oxalyl dichloride (79-37-8) + n-docosanoic acid (112-85-6) → docosanoyl chloride (21132-76-3)

Guidance literature:

With benzene; at 35 ℃;

Reference yield:

→ docosanoyl chloride (21132-76-3)

Guidance literature:

upstream raw materials:

oxalyl dichloride

n-docosanoic acid

Downstream raw materials:

docosanophenone

Docosanoic acid 1-[4-((E)-7-ethoxy-3,7-dimethyl-oct-2-enyloxy)-phenyl]-propyl ester

1,2-propanediol dibehenoate

Docosanylamide

Refernces

• 1、 -. "Catalyst for synthesizing acyl chloride compounds and application thereof". Paragraph 0078-0082. . Retrieved 2020/10/20.
• 2、 Biglova, Yu. N.,Mukhametyanova, A. F.,Nugumanov, T. R.,Sakhautdinov, I. M.. "Synthesis of New Lipophilic Cyclopentafullerenes from Long-Chain Alka-2,3-dienoates". . p. 1191 - 1195. Retrieved 2020/10/02.