Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester
• CAS No.: 156020-85-8
• Molecular Formula: C12H12F2O2
• Molecular Weight: 226.223
• DSSTox Substance ID: DTXSID00440381
• Mol file: 156020-85-8.mol

Synonyms:156020-85-8;Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester;DTXSID00440381

Chemical Property of Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 226.08053595
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CC1(F)F)C2=CC=CC=C2

Technology Process of Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester

There total 2 articles about Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester 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:

sodium chlorodifluoroacetate (1895-39-2) + 2-phenyl-acrylic acid ethyl ester (22286-82-4) → ethyl 2,2-difluoro-1-phenylcyclopropanecarboxylate (156020-85-8)

Guidance literature:

With 18-crown-6 ether; In sulfolane; diethylene glycol dimethyl ether; at 170 ℃; for 15h;

DOI:10.1039/P19940000739

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + ethyl 2-phenyl-3,3-difluoroacrylate (85278-32-6) → ethyl 2,2-difluoro-1-phenylcyclopropanecarboxylate (156020-85-8)

Guidance literature:

diazomethane; ethyl 2-phenyl-3,3-difluoroacrylate; In diethyl ether; at 0 - 20 ℃;

In acetone; for 96h; Irradiation;

DOI:10.1016/j.bmc.2005.01.043

Reference yield: 49.0%

ethyl 2,2-difluoro-1-phenylcyclopropanecarboxylate (156020-85-8) → (2,2-difluoro-1-phenylcyclopropyl)methanol (156020-86-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -5 - 0 ℃; for 20h;

DOI:10.1039/P19940000739

upstream raw materials:

sodium chlorodifluoroacetate

2-phenyl-acrylic acid ethyl ester

diazomethane

ethyl 2-phenyl-3,3-difluoroacrylate

Downstream raw materials:

(2,2-difluoro-1-phenylcyclopropyl)methanol

2,2-difluoro-1-phenylcyclopropanecarboxylic acid

2,2-difluoro-1-phenyl-cyclopropanecarboxylic acid hydrazide

2,5-diphenylpyridine