12-Oxotridecanoic acid

Base Information

• Chemical Name: 12-Oxotridecanoic acid
• CAS No.: 2345-12-2
• Molecular Formula: C13H24 O3
• Molecular Weight: 228.332
• European Community (EC) Number: 219-060-6
• DSSTox Substance ID: DTXSID1062332
• Nikkaji Number: J121.230C
• Wikidata: Q81989976
• Metabolomics Workbench ID: 1566
• Mol file: 2345-12-2.mol

Synonyms:12-Oxotridecanoic acid;12-Ketotridecanoic acid;12-keto tridecanoic acid;2345-12-2;12-oxo-tridecanoic acid;Tridecanoic acid, 12-oxo-;12-Oxotridecanoic acid #;SCHEMBL2349956;DTXSID1062332;CHEBI:185248;EINECS 219-060-6;LMFA01060043;AKOS025296215

Chemical Property of 12-Oxotridecanoic acid

Chemical Property:

• Vapor Pressure: 3.21E-06mmHg at 25°C
• Boiling Point: 361.9°Cat760mmHg
• Flash Point: 186.8°C
• PSA: 54.37000
• Density: 0.972g/cm³
• LogP: 3.56100
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCCCCCCCCC(=O)O

Technology Process of 12-Oxotridecanoic acid

There total 13 articles about 12-Oxotridecanoic 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: 96.0%

12-Oxotridec-9-enoic Acid → 12-oxotridecanoic acid (2345-12-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In dichloromethane; for 24h; under 1500.1 Torr; Ambient temperature;

Reference yield:

1-dodecen-11-one (5009-33-6) + carbon dioxide (124-38-9,18923-20-1) → 12-oxotridecanoic acid (2345-12-2)

Guidance literature:

With nickel(II) iodide; manganese; Bathocuproine; water; In N,N-dimethyl-formamide; at 50 ℃; under 760.051 Torr; Schlenk technique;

DOI:10.1021/jacs.7b07637

Reference yield:

tridecane-1,12-diol (99706-68-0) → 12-oxotridecanoic acid (2345-12-2)

Guidance literature:

With chromium; acetic acid;

upstream raw materials:

tridecane-1,12-diol

10-undecenoic acid

acetaldehyde

Cyclododecanoncarboxaldehydtosylhydrazon

Downstream raw materials:

20-Oxoheneicosansaeuremethylester

Refernces

• 1、 Gaydou, Morgane,Moragas, Toni,Juliá-Hernández, Francisco,Martin, Ruben. "Site-Selective Catalytic Carboxylation of Unsaturated Hydrocarbons with CO2 and Water". supporting information. p. 12161 - 12164. Retrieved 2017/09/12.
• 2、 Torii, Sigeru,Inokuchi, Tsutomu,Sugiura, Toyoyuki. "Indirect Electrooxidation of Alkohols and Aldehydes by Using a Double Mediatory System Consisting of RuO4/RuO2 and Cl+/Cl- Redoxes in an Aqueous-Organic Two-Phase System". . p. 155 - 161. Retrieved 2007/10/02.