Hexatriacontanoic acid

Base Information

• Chemical Name: Hexatriacontanoic acid
• CAS No.: 4299-38-1
• Molecular Formula: C36H72O2
• Molecular Weight: 536.95600
• Hs Code.: 2915900090
• UNII: WZH710M27F
• DSSTox Substance ID: DTXSID70195614
• Nikkaji Number: J330.641K
• Wikipedia: Hexatriacontylic_acid
• Wikidata: Q2823267
• Metabolomics Workbench ID: 57
• Mol file: 4299-38-1.mol

Synonyms:hexatriacontanoic acid;Hexatriacontylic acid;4299-38-1;UNII-WZH710M27F;WZH710M27F;C36:0;n-Hexatriacontansaure;LMFA01010036;SCHEMBL194881;DTXSID70195614;CHEBI:165444;FA 36:0;FA(36:0);Q2823267

Chemical Property of Hexatriacontanoic acid

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Refractive Index: 1.5036 (estimate)
• Boiling Point: 469.4oC at 760 mmHg
• Flash Point: 208.3oC
• PSA: 37.30000
• Density: 0.869g/cm3
• LogP: 13.35430
• XLogP3: 17.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 34
• Exact Mass: 536.55323154
• Heavy Atom Count: 38
• Complexity: 433

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Technology Process of Hexatriacontanoic acid

There total 5 articles about Hexatriacontanoic 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: 87.4%

1-tetracosyl bromide (6946-24-3) + sodium salt of 12-bromododecanoic acid (116577-41-4) → hexatriacontanoic acid (4299-38-1)

Guidance literature:

1-tetracosyl bromide; With magnesium; In diethyl ether; for 3h;

sodium salt of 12-bromododecanoic acid; With dilithium tetrachlorocuprate; In tetrahydrofuran; diethyl ether; at -10 ℃; for 4h; Further stages.;

DOI:10.1016/j.phytochem.2006.02.014

Reference yield:

13-Keto-hexatriacontansaeure (121446-14-8) → hexatriacontanoic acid (4299-38-1)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In ethylene glycol;

DOI:10.1246/bcsj.34.398

Reference yield:

Tetracosanoyl chloride; hydrochloride → hexatriacontanoic acid (4299-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, benzene, (ii) /BRN= 5796789/, (iii) H₂, Pd-C, Pd-SrCO₃, AcOEt, EtOH

2: N₂H₄*H₂O, NaOH / ethane-1,2-diol

With sodium hydroxide; hydrazine hydrate; In ethylene glycol;

DOI:10.1246/bcsj.34.398

upstream raw materials:

13-Keto-hexatriacontansaeure

1-tetracosyl bromide

sodium salt of 12-bromododecanoic acid

Downstream raw materials:

CH₃(CH₂)35Br

Refernces