2,2-Difluorocyclopropanecarboxylic acid

Base Information

• Chemical Name: 2,2-Difluorocyclopropanecarboxylic acid
• CAS No.: 107873-03-0
• Molecular Formula: C4H4 F2 O2
• Molecular Weight: 122.071
• Hs Code.: 2916209090
• European Community (EC) Number: 679-017-6
• DSSTox Substance ID: DTXSID90382322
• Mol file: 107873-03-0.mol

Synonyms:2,2-Difluorocyclopropanecarboxylic acid;107873-03-0;2,2-difluorocyclopropane-1-carboxylic Acid;2,2-difluoro-cyclopropanecarboxylic acid;C4H4F2O2;MFCD04115828;2,2-Difluorocyclopropanecarboxylicacid;CYCLOPROPANECARBOXYLIC ACID, 2,2-DIFLUORO-;MFCD30471588;MFCD30719344;(R)-2,2-Difluorocyclopropanecarboxylic Acid;SCHEMBL301120;AMY3255;DTXSID90382322;KMLMOVWSQPHQME-UHFFFAOYSA-N;BCP19593;CS-B1034;BBL100514;STL554308;AKOS005254595;AB20620;PB48528;SB40854;2,2-difluoro cyclopropanecarboxylic acid;2,2-difluoro-cyclopropanecarboxylic?acid;2,2-Difluorocyclopropane carboxylic acid;2,2-difluorocyclopropane-carboxylic acid;2,2-difluoro-cyclopropane-carboxylic acid;AS-39483;SY027524;SY099275;SY245844;D5977;FT-0676991;(rac)-2,2-difluorocyclopropanecarboxylic acid;2,2-Difluorocyclopropanecarboxylic acid, 97%;EN300-59738;(RS)-2,2-difluoro-cyclopropanecarboxylic acid;A801774;J-002027

Chemical Property of 2,2-Difluorocyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.264mmHg at 25°C
• Melting Point: 55-60°C
• Refractive Index: 1.409
• Boiling Point: 70°C 7mm
• PKA: 3.22±0.22(Predicted)
• Flash Point: 111.8°C
• PSA: 37.30000
• Density: 1.527g/cm³
• LogP: 0.72620
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 122.01793569
• Heavy Atom Count: 8
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

2,2-Difluorocyclopropanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1(F)F)C(=O)O
• Uses: 2,2-Difluorocyclopropanecarboxylic acid derivative (i.e. 2,2-difluorocyclopropanecarbonyl chloride) is used in Friedel-Crafts reactions with various arenes to prepare aryl 2,2-difluorocyclopropyl ketones.

Technology Process of 2,2-Difluorocyclopropanecarboxylic acid

There total 3 articles about 2,2-Difluorocyclopropanecarboxylic 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: 89.0%

2,2-difluorocyclopropanecarboxylic acid butyl ester (260352-79-2) → 2,2-difluorocyclopropane-1-carboxylic acid (107873-03-0,1883301-82-3,1631747-25-5)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1016/j.jfluchem.2004.12.004

Reference yield: 79.0%

1,1-difluoro-2-vinylcyclopropane (694-34-8) → 2,2-difluorocyclopropane-1-carboxylic acid (107873-03-0,1883301-82-3,1631747-25-5)

Guidance literature:

With potassium permanganate; In water; for 36h;

DOI:10.1016/S0022-1139(00)80369-3

Reference yield:

(2,2-difluorocyclopropyl)methyl hexanoate → 2,2-difluorocyclopropane-1-carboxylic acid (107873-03-0,1883301-82-3,1631747-25-5)

Guidance literature:

(2,2-difluorocyclopropyl)methyl hexanoate; With water monomer; potassium hydroxide; at 60 ℃;

With sodium chlorine monoxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutylammonium bromide; Sodium hydrogenocarbonate; potassium bromide; In dichloromethane; water monomer; at 10 ℃;

upstream raw materials:

1,1-difluoro-2-vinylcyclopropane

2,2-difluorocyclopropanecarboxylic acid butyl ester

Downstream raw materials:

N-{5-[(2-{[(2,2-difluorocyclopropyl)carbonyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]-2-fluorophenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

N-{5-[(2-{[(2,2-difluorocyclopropyl)carbonyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]-2-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

4-{(S)-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-4-[(2,2-difluoro-cyclopropanecarbonyl)-amino]-butyryl}-piperazine-1-carboxylic acid ethyl ester

N-((R)-2-(5-chloropyridin-2-yl)-2-(3-fluoro-5-(2,2,3,3-tetrafluoropropyl)phenyl)-3-phenylpropyl)-2,2-difluorocyclopropanecarboxamide