Cyclohexanecarboxylic acid, 1-methyl-3-oxo-

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 1-methyl-3-oxo-
• CAS No.: 62733-86-2
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.181
• Mol file: 62733-86-2.mol

Synonyms:1-Methyl-3-oxocyclohexanecarboxylic acid;1-Methyl-3-oxo-cyclohexan-1-carbonsaeure;Cyclohexanecarboxylic acid,1-methyl-3-oxo;

Chemical Property of Cyclohexanecarboxylic acid, 1-methyl-3-oxo-

Chemical Property:

• Melting Point: 154 °C
• Boiling Point: 110-115 °C(Press: 0.2 Torr)
• PSA: 54.37000
• Density: 1.168±0.06 g/cm3(Predicted)
• LogP: 1.22040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Cyclohexanecarboxylic acid, 1-methyl-3-oxo-

There total 5 articles about Cyclohexanecarboxylic acid, 1-methyl-3-oxo- 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: 86.0%

formic acid (64-18-6) + 1-methyl-3-oxocyclohexane-1-carbonitrile (33235-14-2) → 1-Methyl-3-oxo-cyclohexan-1-carbonsaeure (62733-86-2,192433-20-8)

Guidance literature:

With hydrogenchloride; water; for 16h; Heating;

Reference yield:

3-methylcyclohexen-2-one (1193-18-6) + carbon dioxide (124-38-9,18923-20-1) → 1-Methyl-3-oxo-cyclohexan-1-carbonsaeure (62733-86-2,192433-20-8)

Guidance literature:

In acetonitrile; at 5 - 10 ℃; Further byproducts given. Yields of byproduct given; electrolyses at -2.50 V and 2.0 F/mol;

DOI:10.1246/bcsj.57.611

Reference yield:

3-methylcyclohexen-2-one (1193-18-6) → 1-Methyl-3-oxo-cyclohexan-1-carbonsaeure (62733-86-2,192433-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / AcOH / ethanol / 2.5 h / Heating

2: 86 percent / conc. HCl, water / 16 h / Heating

With hydrogenchloride; water; acetic acid; In ethanol;

upstream raw materials:

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

formic acid

1-methyl-3-oxocyclohexane-1-carbonitrile

3-methylcyclohexen-2-one

Downstream raw materials:

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

(1S,3S)-3-(4-Methoxy-phenyl)-1-methyl-cyclohexanecarboxylic acid methyl ester

(1S,3R)-3-(4-Methoxy-phenyl)-1-methyl-cyclohexanecarboxylic acid methyl ester

1-methyl-t-3-p-methoxyphenylcyclohexane-r-1-carboxylic acid