2-Fluoro-3-methylbutanoic acid

Base Information

• Chemical Name: 2-Fluoro-3-methylbutanoic acid
• CAS No.: 1578-62-7
• Molecular Formula: C5H9 F O2
• Molecular Weight: 120.1222
• Hs Code.: 2915900090
• European Community (EC) Number: 834-614-2
• NSC Number: 84354
• Nikkaji Number: J40.570A
• Mol file: 1578-62-7.mol

Synonyms:2-fluoro-3-methylbutanoic acid;1578-62-7;2-Fluoro-3-methylbutyric acid;Butanoic acid, 2-fluoro-3-methyl-;2-Fluoro-3-methylbutanoicacid;BUTYRIC ACID, 2-FLUORO-3-METHYL-;NSC 84354;AI3-28553;NSC84354;WLN: QVYFY1&1;SCHEMBL2995714;DPPSUGSPUHMWEH-UHFFFAOYSA-N;NSC-84354;AKOS006379396;AT16244;2-FLUORO-3-METHYL-BUTYRIC ACID;LS-48048;BB 0261785;CS-0447453;FT-0698752;EN300-160505;F8889-5916

Chemical Property of 2-Fluoro-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.383mmHg at 25°C
• Melting Point: 35-40oC
• Boiling Point: 182°Cat760mmHg
• PKA: 2.70±0.10(Predicted)
• Flash Point: 63.9°C
• PSA: 37.30000
• Density: 1.073g/cm³
• LogP: 1.06510
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 120.05865769
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

2-fluoro-3-methylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)F

Technology Process of 2-Fluoro-3-methylbutanoic acid

There total 16 articles about 2-Fluoro-3-methylbutanoic 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: 90.0%

2-Fluoro-3-methyl-butyric acid methyl ester (135359-27-2) → 2-fluoro-3-methylbutanoic acid (1578-62-7)

Guidance literature:

With formic acid;

DOI:10.1016/S0040-4039(00)60570-1

Reference yield: 75.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → 2S-2-fluoro-3-methylbutanoic acid (1578-62-7,95904-24-8,95977-21-2,75244-23-4)

Guidance literature:

With pyridinium polyhydrogen fluoride; sodium nitrite; for 5h; Ambient temperature;

DOI:10.1002/hlca.19810640806

Reference yield: 71.0%

(S)-4-Benzyl-3-((S)-2-fluoro-3-methyl-butyryl)-oxazolidin-2-one (669074-37-7) → 2S-2-fluoro-3-methylbutanoic acid (1578-62-7,95904-24-8,95977-21-2,75244-23-4)

Guidance literature:

With lithium hydroxide; dihydrogen peroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2003.09.085

upstream raw materials:

2-Fluor-2-isopropyl-malonsaeure-diethylester

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

D,L-valine

2-Fluoro-3-methyl-butyric acid methyl ester

Downstream raw materials:

2'-<6'-((2''S-2''-fluoro-3''-methylbutanoyl)oxy)>naphthyl 4-decyloxybenzoate

C₁₁H₁₅FN₂O

(S)-2-((S)-2-Fluoro-3-methyl-butyrylamino)-propionic acid

(S)-2-((S)-2-Fluoro-3-methyl-butyrylamino)-propionic acid tert-butyl ester

Refernces

• 1、 Tanasova, Marina,Borhan, Babak. "Conformational preference in bis(porphyrin) tweezer complexes: A versatile chirality sensor for α-chiral carboxylic acids". supporting information; experimental part. p. 3261 - 3269. Retrieved 2012/07/01.
• 2、 Tanasova, Marina,Yang, Qifei,Olmsted, Courtney C.,Vasileiou, Chrysoula,Li, Xiaoyong,Anyika, Mercy,Borhan, Babak. "An unusual conformation of α-haloamides due to cooperative binding with zincated porphyrins". supporting information; experimental part. p. 4242 - 4253. Retrieved 2011/02/25.