Methyl 10-oxoundecanoate

Base Information

• Chemical Name: Methyl 10-oxoundecanoate
• CAS No.: 18993-09-4
• Molecular Formula: C12H22O3
• Molecular Weight: 214.305
• Hs Code.: 2918300090
• European Community (EC) Number: 606-194-9
• DSSTox Substance ID: DTXSID40334093
• Nikkaji Number: J112.624E
• Wikidata: Q63399747
• Mol file: 18993-09-4.mol

Synonyms:Methyl 10-oxoundecanoate;18993-09-4;Undecanoic acid, 10-oxo-, methyl ester;10-Oxo-undecanoic methyl ester;10-oxo-undecanoic acid methyl ester;SCHEMBL6421942;DTXSID40334093;Q63399747

Chemical Property of Methyl 10-oxoundecanoate

Chemical Property:

• Vapor Pressure: 0.00119mmHg at 25°C
• PSA: 43.37000
• LogP: 2.86920
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCCCCCCC(=O)OC
• Uses: Methyl 11-Oxoundecanoate is an intermediate in the synthesis of (11E)?-11-?Hexadecenoic Acid Methyl Ester (H635240), a fatty acid methyl ester produced by green seaweeds and Trachyrhamphus serratus. (11E)?-11-?Hexadecenoic acid methyl ester extracted from displays Trachyrhamphus serratus antitumor activity.

Technology Process of Methyl 10-oxoundecanoate

There total 7 articles about Methyl 10-oxoundecanoate 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: 44.0%

methyl 11-bromo-10-hydroxyundecanoate (34574-67-9) → Methyl 10-undecenoate (111-81-9) + (+/-)-10-Hydroxyundecansaeure-methylester (54704-39-1,35005-54-0) + methyl 10-oxoundecanoate (18993-09-4) + methyl 8-undecenote (100288-72-0)

Guidance literature:

With chlorotris(triphenylphosphine)cobalt(I); In benzene; at 60 ℃; for 7.5h; Yield given;

Reference yield: 44.0%

methyl 11-bromo-10-hydroxyundecanoate (34574-67-9) → Methyl 10-undecenoate (111-81-9) + (+/-)-10-Hydroxyundecansaeure-methylester (54704-39-1,35005-54-0) + methyl 10-oxoundecanoate (18993-09-4) + methyl 8-undecenoate (64749-27-5)

Guidance literature:

With chlorotris(triphenylphosphine)cobalt(I); for 6h; Yield given. Further byproducts given; Ambient temperature;

DOI:10.1016/S0040-4039(00)87973-3

Reference yield: 44.0%

methyl 11-bromo-10-hydroxyundecanoate (34574-67-9) → methyl (E) 9-undecenoate (37973-85-6) + (+/-)-10-Hydroxyundecansaeure-methylester (54704-39-1,35005-54-0) + methyl 10-oxoundecanoate (18993-09-4) + methyl 8-undecenote (100288-72-0)

Guidance literature:

With chlorotris(triphenylphosphine)cobalt(I); In benzene; at 60 ℃; for 7.5h;

upstream raw materials:

diazomethane

Cyclodecene

methyl 11-bromo-10-hydroxyundecanoate

Downstream raw materials:

C₂₅H₄₂O₂

C₂₅H₄₂O

10-methyl-1-undecanol

1-bromo-10-methylundecane

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