2-Amino-3-fluorohexanoic acid

Base Information

• Chemical Name: 2-Amino-3-fluorohexanoic acid
• CAS No.: 43163-96-8
• Molecular Formula: C₆H₁₂FNO₂
• Molecular Weight: 149.165
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50372067
• Mol file: 43163-96-8.mol

Synonyms:2-amino-3-fluorohexanoic acid;3-Fluoro-DL-norleucine;43163-96-8;2-amino-3-fluoro-hexanoic Acid;3-Fluoro-dl-norleucine 97%;SCHEMBL2453667;DTXSID50372067;AKOS006223446;FT-0615730;A826189

Chemical Property of 2-Amino-3-fluorohexanoic acid

Chemical Property:

• Vapor Pressure: 0.00313mmHg at 25°C
• Boiling Point: 262.9°C at 760 mmHg
• Flash Point: 112.8°C
• PSA: 63.32000
• Density: 1.129g/cm³
• LogP: 1.23680
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 149.08520679
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98.5% ^*data from raw suppliers

3-FLUORO-DL-NORLEUCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(C(=O)O)N)F

Technology Process of 2-Amino-3-fluorohexanoic acid

There total 4 articles about 2-Amino-3-fluorohexanoic 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: 89.0%

benzyl 2-(4,5-diphenyl-2-oxo-4-oxazolin-3-yl)-3-fluorohexanoate (110353-92-9,110353-93-0) → 2-amino-3-fluorohexanoic acid (43163-96-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 2327.2 Torr;

DOI:10.1021/jo00230a033

Reference yield:

benzyl 2-(4,5-diphenyl-2-oxo-4-oxazolin-3-yl)-3-hydroxyhexanoate (110353-74-7,110353-75-8) → 2-amino-3-fluorohexanoic acid (43163-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / (diethylamino)sulfur trifluoride / CH₂Cl₂ / 1.) -78 deg C, 2 h, 2.) -45 deg C, 2 h

2: 89 percent / H₂ / 10percent Pd/C / ethanol / 2327.2 Torr

With diethylamino-sulfur trifluoride; hydrogen; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jo00230a033

Reference yield:

2-Bromo-3-fluoro-hexanoic acid (50884-97-4) → 2-amino-3-fluorohexanoic acid (43163-96-8)

Guidance literature:

With ammonia;

DOI:10.1021/jm00270a022

upstream raw materials:

2-Bromo-3-fluoro-hexanoic acid

benzyl 2-(4,5-diphenyl-2-oxo-4-oxazolin-3-yl)-3-fluorohexanoate

benzyl 2-(4,5-diphenyl-2-oxo-4-oxazolin-3-yl)-3-hydroxyhexanoate

2-hexenoic acid

Refernces