12-Oxododecanoic acid

Base Information

• Chemical Name: 12-Oxododecanoic acid
• CAS No.: 3956-80-7
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.305
• Hs Code.: 2918300090
• European Community (EC) Number: 223-552-6
• UNII: 594WBA8G4R
• DSSTox Substance ID: DTXSID40192675
• Nikkaji Number: J217.787K
• Wikidata: Q83065341
• Metabolomics Workbench ID: 1596
• Mol file: 3956-80-7.mol

Synonyms:12-oxododecanoic acid;3956-80-7;11-Formylundecanoic acid;12-oxo-dodecanoic acid;omega-Oxolauric acid;EINECS 223-552-6;594WBA8G4R;12-oxolauric acid;12-oxododecanoicacid;Dodecanoic acid, 12-oxo-;UNII-594WBA8G4R;SCHEMBL1010043;DTXSID40192675;CHEBI:144066;LMFA01060089;UNDECANOIC ACID, 11-FORMYL-

Chemical Property of 12-Oxododecanoic acid

Chemical Property:

• Vapor Pressure: 5.91E-06mmHg at 25°C
• Boiling Point: 353.7°Cat760mmHg
• Flash Point: 181.9°C
• PSA: 54.37000
• Density: 0.98g/cm³
• LogP: 3.17090
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCC(=O)O)CCCCC=O

Technology Process of 12-Oxododecanoic acid

There total 26 articles about 12-Oxododecanoic 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: 92.0%

formic acid (64-18-6) + 10-Undecenal (112-45-8) → 12-oxododecanoic acid (3956-80-7)

Guidance literature:

With palladium diacetate; acetic anhydride; P(p-C₆H₄F)3; In toluene; at 80 ℃; for 48h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02101

Reference yield: 73.0%

cis-12,13-epoxystearic acid (32381-04-7,32381-05-8,38003-80-4,61827-10-9) → 12-oxododecanoic acid (3956-80-7)

Guidance literature:

With periodic acid; In water; tert-butyl alcohol; for 5h;

DOI:10.1007/s11746-997-0176-z

Reference yield: 72.0%

cis-1,2-cyclododecanediol (4422-05-3) → 12-oxododecanoic acid (3956-80-7) + 1,12-dodecanedioic acid (693-23-2) + dodecanedial (38279-34-4) + cyclododecane-1,2-dione (3008-41-1)

Guidance literature:

With Oxone; sodium ortho-iodobenzenesulfonate; In acetonitrile; at 70 ℃; for 1h;

upstream raw materials:

10-undecenoic acid

carbon monoxide

cyclododecene

13,14,15-trioxa-bicyclo[10.2.1]pentadecane

Downstream raw materials:

12-Aminododecanoic acid

11-aminoundecanoic acid

Refernces

• 1、 Rakoff,Emken. "". . p. 233,249. Retrieved 1978.
• 2、 Heath, Rachel S.,Birmingham, William R.,Thompson, Matthew P.,Taglieber, Andreas,Daviet, Laurent,Turner, Nicholas J.. "An Engineered Alcohol Oxidase for the Oxidation of Primary Alcohols". . p. 276 - 281. Retrieved 2019/01/04.