12-Tridecenoic acid

Base Information

• Chemical Name: 12-Tridecenoic acid
• CAS No.: 6006-06-0
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID80415239
• Nikkaji Number: J828.215C
• Wikidata: Q82224198
• Metabolomics Workbench ID: 481
• Mol file: 6006-06-0.mol

Synonyms:12-tridecenoic acid;tridec-12-enoic acid;6006-06-0;12-TRIDECANOIC ACID;C13:1n-1;SCHEMBL466094;12-tridecanoic acid, AldrichCPR;DTXSID80415239;CHEBI:186884;PARCICAYFORNPH-UHFFFAOYSA-N;LMFA01030046;BS-51625;PD166927;F76967

Chemical Property of 12-Tridecenoic acid

Chemical Property:

• Melting Point: 38.5°C
• Refractive Index: 1.635
• Boiling Point: 319.6 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 216.7 °C
• PSA: 37.30000
• Density: 0.911g/cm³
• LogP: 4.15800
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

98%Min ^*data from raw suppliers

ω-TridecenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCCCC(=O)O
• Uses: ω-Tridecenoic Acid is a fatty acid derivative that might have some antimicrobial activity against Staphylococcus aureus.

Technology Process of 12-Tridecenoic acid

There total 16 articles about 12-Tridecenoic 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: 86.0%

12-tridecenyl alcohol (16339-75-6) → 12-tridecenoic acid (6006-06-0)

Guidance literature:

12-tridecenyl alcohol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 - -50 ℃; for 1h; Inert atmosphere;

With triethylamine; In dichloromethane; water;

With sodium chlorite; sodium dihydrogenphosphate dihydrate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; for 1h;

Reference yield:

→ 12-tridecenoic acid (6006-06-0)

Guidance literature:

at 150 ℃;

Reference yield:

tridec-12-enal (63618-39-3) → 12-tridecenoic acid (6006-06-0)

Guidance literature:

With sodium chlorite; Yield given;

DOI:10.1016/S0040-4039(97)00285-2

upstream raw materials:

tridec-12-enal

Iododecane

12-tridecenyl alcohol

tridec-2-yn-1-ol

Downstream raw materials:

11-cyclopropylundecanoic acid methyl ester

Tridec-12-enoic acid 1-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-but-3-enyl ester

undecylenic acid

1,12-dodecanedioic acid

Refernces

• 1、 Gao, Yangguang,Cao, Zhou,Zhang, Qiang,Guo, Rui,Ding, Fei,You, Qingliang,Bi, Jingjing,Zhang, Yongmin. "Total Synthesis of the Proposed Structure of Penasulfate A: L -Arabinose as a Source of Chirality". . p. 1908 - 1916. Retrieved 2019/08/20.
• 2、 Dennig, Alexander,Kurakin, Sara,Kuhn, Miriam,Dordic, Andela,Hall, Mélanie,Faber, Kurt. "Enzymatic Oxidative Tandem Decarboxylation of Dioic Acids to Terminal Dienes". supporting information. p. 3473 - 3477. Retrieved 2016/07/29.