16-Chlorohexadecanoic acid

Base Information

• Chemical Name: 16-Chlorohexadecanoic acid
• CAS No.: 2536-34-7
• Molecular Formula: C16H31ClO2
• Molecular Weight: 290.874
• DSSTox Substance ID: DTXSID20576590
• Nikkaji Number: J969.567B
• Wikidata: Q82466377
• Mol file: 2536-34-7.mol

Synonyms:16-chlorohexadecanoic acid;2536-34-7;16-chloropalmitic acid;starbld0046261;SCHEMBL1264657;DTXSID20576590

Chemical Property of 16-Chlorohexadecanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 290.2012579
• Heavy Atom Count: 19
• Complexity: 195

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCC(=O)O)CCCCCCCCl

Technology Process of 16-Chlorohexadecanoic acid

There total 8 articles about 16-Chlorohexadecanoic acid 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: 67.0%

16-hydroxyhexadecanoic acid (506-13-8) → 15-hexadecanolide (109-29-5) + 16-chlorohexadecanoic acid (2536-34-7)

Guidance literature:

With 1-pyrrolidinecarboxaldehyde; 1,3,5-trichloro-2,4,6-triazine; In 1,4-dioxane; at 80 ℃; for 12h; Time; Sealed tube; Green chemistry;

DOI:10.1002/chem.201800588

Reference yield:

(Z)-16-Chloro-hexadec-9-enoic acid → 16-chlorohexadecanoic acid (2536-34-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; Ambient temperature;

Reference yield:

16-chloro-(E)-9-hexadecenoic acid (210229-83-7) → 16-chlorohexadecanoic acid (2536-34-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 8h; Ambient temperature;

upstream raw materials:

16-chloro-(E)-9-hexadecenoic acid

Methyl-16-hydroxy-cis-9-hexadecenoat

methyl 16-hydroxy-(E)-9-hexadecenoate

(Z)-16-Chloro-hexadec-9-enoic acid methyl ester

Refernces

• 1、 Huy, Peter H.,Filbrich, Isabel. "A General Catalytic Method for Highly Cost- and Atom-Efficient Nucleophilic Substitutions". supporting information. p. 7410 - 7416. Retrieved 2018/04/30.