2-Fluoroisobutyric acid

Base Information

• Chemical Name: 2-Fluoroisobutyric acid
• CAS No.: 63812-15-7
• Molecular Formula: C4H7FO2
• Molecular Weight: 106.097
• Hs Code.: 29159000
• European Community (EC) Number: 641-324-8
• DSSTox Substance ID: DTXSID70382325
• Nikkaji Number: J3.546.462J
• Wikidata: Q72473788

Synonyms:2-Fluoro-2-methylpropanoicacid;2-Fluoroisobutyric acid;

Chemical Property of 2-Fluoroisobutyric acid

Chemical Property:

• Vapor Pressure: 1.07mmHg at 25°C
• Refractive Index: 1.386
• Boiling Point: 163.2 °C at 760 mmHg
• PKA: 2.68±0.10(Predicted)
• Flash Point: 52.5 °C
• PSA: 37.30000
• Density: 1.12 g/cm³
• LogP: 0.81910
• Water Solubility.: Soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 106.04300762
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

98%, ^*data from raw suppliers

2-Fluoroisobutyricacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-23/24/25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)F
• Uses: 2-Fluoroisobutyric acid chloride was synthesized from 2-fluoroisobutyric acid and oxalyl chloride. Reactant in the synthesis of 2-Fluoro-Acids, Esters, and amides From a-Dicyanoepoxides.

Technology Process of 2-Fluoroisobutyric acid

There total 5 articles about 2-Fluoroisobutyric 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-fluoro-isobutyrate (55816-69-8) → 2-fluoro-2-methylpropanoic acid (63812-15-7)

Guidance literature:

With sulfuric acid;

Reference yield:

cetyltrimethylammonim bromide (57-09-0) + ethyl 2-fluoro-isobutyrate (55816-69-8) → 2-fluoro-2-methylpropanoic acid (63812-15-7)

Guidance literature:

With sodium hydroxide; In dichloromethane;

Reference yield:

C4H6FO2(1-)*Na(1+) → 2-fluoro-2-methylpropanoic acid (63812-15-7)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1039/d1cc06466e

upstream raw materials:

3-Fluoro-3-methyl-2-oxo-butyronitrile

cetyltrimethylammonim bromide

ethyl 2-fluoro-isobutyrate

Downstream raw materials:

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinoline-3-yl-1H-imidazol-4-yl)-5-(2-fluoroisobutyrylamino)benzamide

2-fluoro-1-{4-[4-(1-methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-phenoxymethyl]-piperidin-1-yl}-2-methyl-propan-1-one

C₂₁H₁₉F₂N₇O₂

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