2,2-Difluoropropionic acid

Base Information

• Chemical Name: 2,2-Difluoropropionic acid
• CAS No.: 373-96-6
• Molecular Formula: C3H4F2O2
• Molecular Weight: 110.06
• Hs Code.: 29159000
• European Community (EC) Number: 632-242-3
• DSSTox Substance ID: DTXSID50382323
• Wikidata: Q72464107
• Mol file: 373-96-6.mol

Synonyms:2,2-Difluoropropionic acid;2,2-difluoropropanoic Acid;373-96-6;Propanoic acid, 2,2-difluoro-;MFCD03093764;2,2-Difluoropropionicacid;alpha,alpha-Difluoropropionic acid;2,2-difluoropropanoicAcid;2,2-difluorpropionic acid;SCHEMBL249117;AMY1273;DTXSID50382323;DAQMDLDOTDQSMH-UHFFFAOYSA-N;2,2-Difluoropropionic acid, 97%;CS-D1742;BBL101618;FD2064;STL555414;AKOS005063320;AS-18658;D5531;FT-0646158;EN300-96585;J-506797;,-Difluoropropionic acid;F1913-8581

Chemical Property of 2,2-Difluoropropionic acid

Chemical Property:

• Vapor Pressure: 1940mmHg at 25°C
• Melting Point: 41-44 °C
• Refractive Index: 1.313
• Boiling Point: 136.957 °C at 760 mmHg
• PKA: 1.34±0.10(Predicted)
• Flash Point: 36.63 °C
• PSA: 37.30000
• Density: 1.316 g/cm³
• LogP: 0.72620
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 110.01793569
• Heavy Atom Count: 7
• Complexity: 88.9

Purity/Quality:

98%, ^*data from raw suppliers

2,2-Difluoropropionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)(F)F

Technology Process of 2,2-Difluoropropionic acid

There total 3 articles about 2,2-Difluoropropionic 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: 92.0%

ethyl 2,2-difluoropropanoate (28781-85-3) → 2,2-difluoropropanoic acid (373-96-6)

Guidance literature:

With aqueous sodium hydroxide; In ethanol;

Reference yield: 70.0%

methyl α-bromo-α-fluoropropionate → methyl 2-fluoroprop-2-enoate (2343-89-7) + 2,2-difluoropropanoic acid (373-96-6) + methyl 2,2-difluoropropionate (38650-84-9)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; hydrogen fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 50 ℃; for 72h; Reagent/catalyst; Solvent; Temperature; Cooling with ice;

Reference yield: 64.0%

ethyl 2-bromo-2-fluoropropionate (108221-67-6) → 2,2-difluoropropanoic acid (373-96-6) + ethyl 2-fluoroacrylate (760-80-5) + ethyl 2,2-difluoropropanoate (28781-85-3)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; pyridine hydrogenfluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 20 ℃; for 48h; Cooling with ice;

upstream raw materials:

ethyl 2,2-difluoropropanoate

ethyl 2-bromo-2-fluoropropionate

Downstream raw materials:

2,2-difluoropropionamide

N-[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]acetamide

3-(2,2-difluoropropionylamino)-5-(5-methylpyridin-2-yl)benzoic acid methyl ester

Refernces

• 1、 -. "MEDICINAL COMPOSITIONS". . . Retrieved 2008/06/13.
• 2、 -. "Antidiabetic agents". . . Retrieved 2008/06/13.