2,2-Difluorobutyric acid

Base Information

• Chemical Name: 2,2-Difluorobutyric acid
• CAS No.: 2366-62-3
• Molecular Formula: C4H6 F2 O2
• Molecular Weight: 124.087
• Hs Code.: 2915900090
• European Community (EC) Number: 631-043-9
• DSSTox Substance ID: DTXSID90395371
• ChEMBL ID: CHEMBL4865041
• Mol file: 2366-62-3.mol

Synonyms:2,2-Difluorobutyric acid;2,2-difluorobutanoic Acid;2366-62-3;MFCD03093765;2,2-difluorobutanoicAcid;(difluoramino)butyric acid;2,2-difluorobutanoic'acid;SCHEMBL301825;Butanoic acid, 2,2-difluoro-;CHEMBL4865041;AMY6073;DTXSID90395371;2,2-Difluorobutyric acid, 97%;KIRTYPIYINXVAF-UHFFFAOYSA-N;BBL100523;STL554317;AKOS005254465;FS-5101;CS-0068725;FT-0676522;C90211;EN300-306167;A816830;J-015180

Chemical Property of 2,2-Difluorobutyric acid

Chemical Property:

• Vapor Pressure: 1.55mmHg at 25°C
• Melting Point: 41°C
• Refractive Index: n20/D 1.365
• Boiling Point: 70-72/8mm
• PKA: 1.34±0.10(Predicted)
• Flash Point: 48.3°C
• PSA: 37.30000
• Density: 1.239g/cm³
• LogP: 1.11630
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 124.03358575
• Heavy Atom Count: 8
• Complexity: 100

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 7-26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)(F)F

Technology Process of 2,2-Difluorobutyric acid

There total 2 articles about 2,2-Difluorobutyric 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:

ethyl 2,2-difluorobutanoate (2368-92-5) → 2,2-difluorobutanoic acid (2366-62-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1039/d0ob02546a

Reference yield:

3,3-difluoro-pent-1-ene (338-00-1) → 2,2-difluorobutanoic acid (2366-62-3)

Guidance literature:

With alkaline MnO₄;

Reference yield: 71.0%

2,2-difluorobutanoic acid (2366-62-3) + (4-(3-fluoro-4-(piperidin-4-ylmethoxy)phenyl)cyclohex-3-enyl)(morpholino)methanone hydrochloride → 2,2-difluoro-1-(4-((2-fluoro-4-(4-(morpholine-4-carbonyl)cyclohex-1-enyl)phenoxy)methyl)piperidin-1-yl)butan-1-one

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

3,3-difluoro-pent-1-ene

ethyl 2,2-difluorobutanoate

Downstream raw materials:

ethyl 2,2-difluorobutanoate

Refernces