benzyl 3,3-difluorocyclobutanecarboxylate

Base Information

• Chemical Name: benzyl 3,3-difluorocyclobutanecarboxylate
• CAS No.: 935273-86-2
• Molecular Formula: C12H12F2O2
• Molecular Weight: 226.223
• Mol file: 935273-86-2.mol

Synonyms:Benzyl 3,3-difluorocyclobutanecarboxylate;3,3-Difluorocyclobutanecarboxylic acid phenylmethyl ester;

Chemical Property of benzyl 3,3-difluorocyclobutanecarboxylate

Chemical Property:

• Boiling Point: 277℃
• Flash Point: 118℃
• PSA: 26.30000
• Density: 1.22
• LogP: 2.77510
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Benzyl3,3-Difluorocyclobutanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Benzyl 3,3-difluorocyclobutanecarboxylate are carboxylic acid ester derivatives and can be used as pharmaceutical intermediates.

Technology Process of benzyl 3,3-difluorocyclobutanecarboxylate

There total 5 articles about benzyl 3,3-difluorocyclobutanecarboxylate 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: 71.0%

benzyl 3-oxocyclobutane-1-carboxylate (198995-91-4) → benzyl 3,3-difluorocyclobutane-1-carboxylate (935273-86-2)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

Reference yield:

benzyl bromide (100-39-0) + 3,3-difluorocyclobutanecarboxylic acid (107496-54-8) → benzyl 3,3-difluorocyclobutane-1-carboxylate (935273-86-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 50 ℃; for 0.333333h;

Reference yield:

benzyl bromide (100-39-0) → benzyl 3,3-difluorocyclobutane-1-carboxylate (935273-86-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 16 h / Reflux

2: diethylamino-sulfur trifluoride / dichloromethane / 16 h / 20 °C / Inert atmosphere

With diethylamino-sulfur trifluoride; potassium carbonate; In dichloromethane; acetone;

upstream raw materials:

benzyl 3-oxocyclobutane-1-carboxylate

3-oxocyclobutanecarboxylic acid

benzyl bromide

3,3-difluorocyclobutanecarboxylic acid

Downstream raw materials:

(3,3-difluoro-1-methyl-cyclobutyl)methanol

3,3-difluoro-1-methyl-cyclobutanecarboxylic acid

3,3-difluorocyclobutanecarboxylic acid

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