Methyl 12-oxododecanoate

Base Information

• Chemical Name: Methyl 12-oxododecanoate
• CAS No.: 2009-59-8
• Molecular Formula: C13H24O3
• Molecular Weight: 228.332
• DSSTox Substance ID: DTXSID80439632
• Nikkaji Number: J462.898E
• Wikidata: Q82255635
• Mol file: 2009-59-8.mol

Synonyms:Methyl 12-oxododecanoate;2009-59-8;12-Oxo-dodecanoic acid methyl ester;Methyl12-oxododecanoate;SCHEMBL3653121;DTXSID80439632;QFZLQCAXDXMEFE-UHFFFAOYSA-N;12-Oxododecanoic acid methyl ester

Chemical Property of Methyl 12-oxododecanoate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 178

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 12-oxododecanoate

There total 4 articles about Methyl 12-oxododecanoate 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:

Methyl 10-undecenoate (111-81-9) + carbon monoxide (201230-82-2) → methyl undecanoate (1731-86-8) + methyl 11-formylundecanoate (2009-59-8) + methyl 9‐undecenoate (5760-50-9) + methyl 8-undecenoate (64749-27-5)

Guidance literature:

With iridium(I)-(1,5-cyclooctadiene)-acetylacetonate; hydrogen; In acetonitrile; at 120 ℃; for 20h; under 15001.5 Torr; regioselective reaction;

DOI:10.1002/cctc.201402783

Reference yield:

methyl n-dodecanoate (111-82-0) → 12-hydroxydodecanoic acid (505-95-3) + methyl 12-hydroxydodecanoate (71655-36-2) + methyl 11-formylundecanoate (2009-59-8) + 1,12-dodecanedioic acid (693-23-2) + 12-methoxy-12-oxododecanoic acid (3903-40-0)

Guidance literature:

With NADH; In aq. phosphate buffer; Kinetics; Microbiological reaction;

DOI:10.1002/adsc.201200958

Reference yield:

methanol (67-56-1) + cyclododecene (1501-82-2) → methyl 11-formylundecanoate (2009-59-8) + dodecanedial (38279-34-4)

Guidance literature:

methanol; cyclododecene; With ozone; In acetic acid methyl ester; at 4.4 ℃; Inert atmosphere;

With acetic anhydride; triethylamine; at 20 ℃;

upstream raw materials:

methyl n-dodecanoate

Methyl 10-undecenoate

carbon monoxide

methanol

Downstream raw materials:

1,12-dodecanedioic acid

methyl 15-(3-nitrophenyl)pentadec-12-enoate

methyl 12-hydroxyoctadecanoate

melissyl alcohol