Propanoic acid, 3-fluoro-2-hydroxy-, (R)-

Base Information

• Chemical Name: Propanoic acid, 3-fluoro-2-hydroxy-, (R)-
• CAS No.: 3130-92-5
• Molecular Formula: C3H5FO3
• Molecular Weight: 108.069
• European Community (EC) Number: 889-357-9
• DSSTox Substance ID: DTXSID40466020
• Nikkaji Number: J1.338.820B
• Wikidata: Q82292382
• Mol file: 3130-92-5.mol

Synonyms:3130-92-5;Propanoic acid, 3-fluoro-2-hydroxy-, (R)-;(R)-3-Fluorolactic acid;(2R)-3-Fluorolactic acid;DTXSID40466020;AKOS006375481;(R)-3-Fluoro-2-hydroxypropanoic acid;(2R)-3-fluoro-2-hydroxypropanoic acid;EN300-7578798

Chemical Property of Propanoic acid, 3-fluoro-2-hydroxy-, (R)-

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 108.02227218
• Heavy Atom Count: 7
• Complexity: 72.6

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)O)O)F
• Isomeric SMILES: C([C@@H](C(=O)O)O)F

Technology Process of Propanoic acid, 3-fluoro-2-hydroxy-, (R)-

There total 3 articles about Propanoic acid, 3-fluoro-2-hydroxy-, (R)- 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%

3-fluoroalanine (16652-37-2,43163-93-5) → (S)-3-fluoroalanine (35455-20-0,43163-93-5) + (R)-3-fluorolactic acid (3130-92-5)

Guidance literature:

With L-alanine dehydrogenase from Bacillus subtilis; rabbit muscle L-lactate dehydrogenase; NAD; In water; at 25 ℃; pH=7.9; Enzymatic reaction;

DOI:10.1016/S0957-4166(00)00096-3

Reference yield: 60.0%

3-fluoroalanine (16652-37-2,43163-93-5) → (R)-3-fluoroalanine (35455-21-1,43163-93-5) + (S)-3-fluoroalanine (35455-20-0,43163-93-5) + (R)-3-fluorolactic acid (3130-92-5)

Guidance literature:

With benzenesulfonamide; Bacillus subtilis L-alanine dehydrogenase; rabbit muscle L-lactate dehydrogenase; In phosphate buffer; at 25 ℃; pH=7.9; Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2003.08.009

Reference yield:

3-fluoroalanine (16652-37-2,43163-93-5) → fluoropyruvic acid (433-48-7) + (R)-3-fluoroalanine (35455-21-1,43163-93-5) + (S)-3-fluoroalanine (35455-20-0,43163-93-5) + (R)-3-fluorolactic acid (3130-92-5)

Guidance literature:

With L-lactate dehydrogenase; Bacillus subtilis L-alanine dehydrogenase; nicotinamide adenine dinucleotide; In aq. phosphate buffer; at 25 ℃; pH=7.9;

DOI:10.1021/op060027o

upstream raw materials:

3-fluoroalanine

Refernces

• 1、 Goncalves, Luciana P. B.,Antunes,Oestreicher, Enrique G.. "Thermodynamics and kinetic aspects involved in the enzymatic resolution of (R,S)-3-fluoroalanine in a coupled system of redox reactions catalyzed by dehydrogenases". . p. 673 - 677. Retrieved 2012/12/22.