Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

Base Information

• Chemical Name: Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
• CAS No.: 80912-51-2
• Molecular Formula: C₁₄H₁₅FO₃
• Molecular Weight: 250.27
• Hs Code.: 2918300090
• Mol file: 80912-51-2.mol

Synonyms:Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

Chemical Property of Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

Chemical Property:

• PSA: 43.37000
• LogP: 2.37960

Purity/Quality:

97% ^*data from raw suppliers

Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

There total 3 articles about Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate 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: 75.0%

C16H17FO5 → 4-carboxymethyl-4-(4-fluorophenyl)cyclohexanone (80912-51-2)

Guidance literature:

With sodium chloride; In dimethyl sulfoxide; at 150 ℃;

DOI:10.1021/jo071202h

Reference yield:

4-fluorobenzeneacetic acid methyl ester (34837-84-8) → 4-carboxymethyl-4-(4-fluorophenyl)cyclohexanone (80912-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / potassium tert-butoxide / tetrahydrofuran / 2 h / 25 °C

2: 75 percent / aq. sodium chloride / dimethylsulfoxide / 150 °C

With potassium tert-butylate; sodium chloride; In tetrahydrofuran; dimethyl sulfoxide; 2: Krapcho decarboxylation;

DOI:10.1021/jo071202h

Reference yield:

1-(4-fluorophenyl)-4-oxocyclohexanecarboxylic acid (80912-58-9) + methyl iodide (74-88-4) → 4-carboxymethyl-4-(4-fluorophenyl)cyclohexanone (80912-51-2)

Guidance literature:

With sodium methylate; sodium; In methanol; chloroform;

upstream raw materials:

4-fluorobenzeneacetic acid methyl ester

1-(4-fluorophenyl)-4-oxocyclohexanecarboxylic acid

methyl iodide

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