Methyl 5-oxotridecanoate

Base Information

• Chemical Name: Methyl 5-oxotridecanoate
• CAS No.: 689-68-9
• Molecular Formula: C14H26O3
• Molecular Weight: 242.35
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20341629
• Nikkaji Number: J206.353K
• Wikidata: Q82111965
• Mol file: 689-68-9.mol

Synonyms:Methyl 5-oxotridecanoate;689-68-9;DTXSID20341629;5-Oxotridecanoic acid methyl ester

Chemical Property of Methyl 5-oxotridecanoate

Chemical Property:

• PSA: 43.37000
• LogP: 3.64940
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 242.18819469
• Heavy Atom Count: 17
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(=O)CCCC(=O)OC

Technology Process of Methyl 5-oxotridecanoate

There total 6 articles about Methyl 5-oxotridecanoate 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:

1-octyl-cyclopentanol (30089-09-9) → 5-Oxo-tridecansaeure-methylester (689-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃ / acetic acid

With chromium(VI) oxide; In acetic acid;

Reference yield:

cyclopentanone (120-92-3) → 5-Oxo-tridecansaeure-methylester (689-68-9)

Guidance literature:

Multi-step reaction with 3 steps

2: CrO₃ / acetic acid

With chromium(VI) oxide; In acetic acid;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-oxotridecanoic acid (869-99-8) → 5-Oxo-tridecansaeure-methylester (689-68-9)

Guidance literature:

upstream raw materials:

diazomethane

5-oxotridecanoic acid

methyl 4-(chlorocarbonyl)butyrate

dioctylcadmium