2-Methylcyclododecanone

Base Information

• Chemical Name: 2-Methylcyclododecanone
• CAS No.: 16837-94-8
• Molecular Formula: C13H24O
• Molecular Weight: 196.32900
• DSSTox Substance ID: DTXSID50337570
• Nikkaji Number: J127.385J
• Metabolomics Workbench ID: 49346
• Mol file: 16837-94-8.mol

Synonyms:2-Methylcyclododecanone;2-methylcyclododecan-1-one;Cyclododecanone, 2-methyl-;16837-94-8;2-Methyl-1-cyclododecanone;2-Methylcyclododecane-1-one;2-Methyl-Cyclododecanone;2-methyl-cyclododecan-1-one;SCHEMBL2346756;DTXSID50337570;CHEBI:156176;STL373780;AKOS030490592

Chemical Property of 2-Methylcyclododecanone

Chemical Property:

• PSA: 17.07000
• LogP: 4.10620
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCCCCCCCC1=O

Technology Process of 2-Methylcyclododecanone

There total 31 articles about 2-Methylcyclododecanone 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%

(E)-1-Butylsulfanyl-2-methyl-cyclododecene → 2-methylcyclododecanone (16837-94-8)

Guidance literature:

With titanium tetrachloride; In acetic acid; for 0.5h;

DOI:10.1021/ja00530a043

Reference yield: 93.0%

methanol (67-56-1) + cyclododecanone (830-13-7) → 2-methylcyclododecanone (16837-94-8)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 15h; Sealed tube; Autoclave; Inert atmosphere;

DOI:10.1021/acscatal.7b04442

Reference yield: 71.0%

2-methylenecyclododecanone (3045-76-9) → 2-methylcyclododecanone (16837-94-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; under 1520 Torr;

DOI:10.1021/ja00407a039

upstream raw materials:

Diazoethan

cycloundecanone

2,12-dibromocyclododecanone

lithium dimethylcuprate

Downstream raw materials:

(Z)-1-(benzoyloxy)-2-methylcyclododecene

2-Methyl-cyclododecanon-(2,4-dinitrophenylhydrazon)

N-(2-methylcyclododecylidene)benzylamine

(Z)-3-methylcyclododecane-1,2-dione-1-oxime