2-Fluoro-3-methylpentanoic acid

Base Information

• Chemical Name: 2-Fluoro-3-methylpentanoic acid
• CAS No.: 6087-16-7
• Molecular Formula: C₆H₁₁FO₂
• Molecular Weight: 134.151
• NSC Number: 84420
• DSSTox Substance ID: DTXSID50292655
• Nikkaji Number: J3.294.826J
• Mol file: 6087-16-7.mol

Synonyms:2-fluoro-3-methylpentanoic acid;6087-16-7;NSC84420;starbld0047239;NCIOpen2_001257;SCHEMBL8746413;DTXSID50292655;2-Fluoro-3-methyl-pentanoic acid;NSC 84420;NSC-84420;AKOS006377053;F2147-5574

Chemical Property of 2-Fluoro-3-methylpentanoic acid

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Boiling Point: 201.1°Cat760mmHg
• Flash Point: 75.4°C
• Density: 1.044g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 134.07430775
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)O)F

Technology Process of 2-Fluoro-3-methylpentanoic acid

There total 6 articles about 2-Fluoro-3-methylpentanoic 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: 80.0%

1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene (129265-04-9) → 2-Fluoro-3-methylpentanoic acid (6087-16-7)

Guidance literature:

With sulfuric acid; at 50 ℃;

DOI:10.1021/jo00001a028

Reference yield:

isoleucine (319-78-8,443-79-8,1509-34-8,1509-35-9,3107-04-8,7004-09-3,73-32-5,959215-79-3,18875-42-8) → 2-Fluoro-3-methylpentanoic acid (6087-16-7)

Guidance literature:

With pyridine; hydrogen fluoride; sodium nitrite;

DOI:10.1021/jo01336a027

Reference yield:

2-Ethoxycarbonimidoyl-2-fluoro-3-methyl-pentanoic acid ethyl ester (18283-07-3) → 2-Fluoro-3-methylpentanoic acid (6087-16-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00316a008

upstream raw materials:

isoleucine

2-Ethoxycarbonimidoyl-2-fluoro-3-methyl-pentanoic acid ethyl ester

1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene

ethyl 2-cyano-3-methylvalerate

Downstream raw materials:

(2R,3S)-1-((2S,5S)-2,5-Dimethyl-pyrrolidin-1-yl)-2-fluoro-3-methyl-pentan-1-one

(2S,3S)-1-((2S,5S)-2,5-Dimethyl-pyrrolidin-1-yl)-2-fluoro-3-methyl-pentan-1-one

(2R,3S)-1-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-2-fluoro-3-methyl-pentan-1-one

(2S,3S)-1-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-2-fluoro-3-methyl-pentan-1-one

Refernces

• 1、 Fuchigami, Toshio,Yamamoto, Kayoko,Nakagawa, Yuki. "Electrolytic Reactions of Fluoro Organic Compounds. 7. Anodic Methoxylation and Acetoxylation of 2,2,2-Trifluoroethyl Sulfides. Preparation of Highly Useful Trifluoromethylated Building Blocks". . p. 137 - 142. Retrieved 2007/10/02.