(2S)-2-methylcyclohexan-1-one

Base Information

• Chemical Name: (2S)-2-methylcyclohexan-1-one
• CAS No.: 22554-27-4
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• DSSTox Substance ID: DTXSID00427591
• Nikkaji Number: J663.817A
• Wikidata: Q82240255
• Mol file: 22554-27-4.mol

Synonyms:(2S)-2-methylcyclohexan-1-one;(S)-2-Methylcyclohexanone;22554-27-4;SCHEMBL43572;(2S)-2-methyl-1-cyclohexanone;DTXSID00427591;A831848

Chemical Property of (2S)-2-methylcyclohexan-1-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1=O
• Isomeric SMILES: C[C@H]1CCCCC1=O

Technology Process of (2S)-2-methylcyclohexan-1-one

There total 51 articles about (2S)-2-methylcyclohexan-1-one 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: 99.0%

1-acetoxy-2-methylcyclohexene (1196-73-2) → (S)-2-methylcyclohexanone (22554-27-4)

Guidance literature:

With cultured cells of Marchantia polymorpha; water; at 25 ℃; for 5h;

DOI:10.1016/S0957-4166(97)00329-7

Reference yield: 94.0%

(1R,2R)-1-((R)-2-methylcyclohexylideneamino)-6-nitroindan-2-ol → (S)-2-methylcyclohexanone (22554-27-4) + (R)-2-methylcyclohexanone (22554-29-6)

Guidance literature:

With acetic acid buffer; sodium acetate; In hexane; at 0 ℃; pH=4.1; Title compound not separated from byproducts;

DOI:10.1021/ja029715n

Reference yield: 83.0%

(S)-2-Methyl-cyclohexanol (808751-93-1) → (S)-2-methylcyclohexanone (22554-27-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; (5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III) chloride; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1039/b414603d

upstream raw materials:

1-trimethylsilyloxy-2-methyl-1-cyclohexene

1-acetoxy-2-methylcyclohexene

1-(propionyloxy)-2-methylcyclohexene

benzoic acid-(2-methyl-cyclohex-1-enyl ester)

Downstream raw materials:

trans-2-methylcyclohexanol

(S)-2-Methyl-cyclohexanol

(E,2S)-(-)-(2-methylcyclohexylidene)acetaldehyde

(1R,2S)-2-methylcyclohexanol