3-Methyl-2-oxocyclohexane-1-carboxylic acid

Base Information

• Chemical Name: 3-Methyl-2-oxocyclohexane-1-carboxylic acid
• CAS No.: 52456-87-8
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.181
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10543978
• Mol file: 52456-87-8.mol

Synonyms:3-Methyl-2-oxocyclohexane-1-carboxylic acid;52456-87-8;DTXSID10543978

Chemical Property of 3-Methyl-2-oxocyclohexane-1-carboxylic acid

Chemical Property:

• Melting Point: 90-91 °C
• Boiling Point: 164-165 °C
• PSA: 54.37000
• Density: 1.155±0.06 g/cm3(Predicted)
• LogP: 1.07630
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1=O)C(=O)O

Technology Process of 3-Methyl-2-oxocyclohexane-1-carboxylic acid

There total 5 articles about 3-Methyl-2-oxocyclohexane-1-carboxylic acid 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:

C5H4N2O5(2-)*2Br(1-)*2Mg(2+) + 2-Methylcyclohexanone (583-60-8) → 6-methyl-1-oxocyclohexane-2-carboxylic acid (52456-87-8)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 6h; Yield given;

DOI:10.1016/S0040-4039(00)93659-1

Reference yield:

C6H6N2O5(2-)*2Br(1-)*2Mg(2+) + 2-Methylcyclohexanone (583-60-8) → 6-methyl-1-oxocyclohexane-2-carboxylic acid (52456-87-8)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 3h; Yield given;

DOI:10.1016/S0040-4039(00)93659-1

Reference yield:

2-Methylcyclohexanone (583-60-8) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 6-methyl-1-oxocyclohexane-2-carboxylic acid (52456-87-8)

Guidance literature:

With sodium amide; Petroleum ether;

upstream raw materials:

2-Methylcyclohexanone

methylammonium carbonate

Downstream raw materials:

3-methyl-2-oxo-cyclohexanecarboxylic acid ethyl ester

2-hydroxy-3-methyl-cyclohexanecarboxylic acid

methyl 3-methyl-2-oxocyclohexane-1-carboxylate

2-((Z)-4-Hydroxy-but-2-enyl)-6-methyl-cyclohexanone

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 52456-87-8 Cyclohexanecarboxylic acid, 3-methyl-2-oxo-

Send

Send

Metric Ton KG G Pound L ML

Send

Send