(S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid

Base Information

• Chemical Name: (S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid
• CAS No.: 159415-52-8
• Molecular Formula: C₉H₉FO₃
• Molecular Weight: 184.167
• Hs Code.: 2918199890
• European Community (EC) Number: 874-976-9
• Nikkaji Number: J1.173.701C
• Mol file: 159415-52-8.mol

Synonyms:(S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid;159415-52-8;(2S)-3-(3-fluorophenyl)-2-hydroxypropanoic acid;MFCD28977372;(S)-3-(3-Fluorophenyl)-2-hydroxypropionicAcid;SCHEMBL2684219;AC1170;AKOS027257144;CS-12032;CS-0447490;(S)-3-(3-fluorophenyl)-2-hydroxypropanoic acid;EN300-7411719;Benzenepropanoic acid, 3-fluoro-a-hydroxy-, (aS)-

Chemical Property of (S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(3-Fluorophenyl)-2-hydroxypropionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CC(C(=O)O)O
• Isomeric SMILES: C1=CC(=CC(=C1)F)C[C@@H](C(=O)O)O

Technology Process of (S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid

There total 8 articles about (S)-3-(3-Fluorophenyl)-2-hydroxypropionic 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: 82.0%

(3-fluorophenyl)acetaldehyde cyanohydrin (458528-62-6) → (-)-3-(3-fluorophenyl)lactic acid (159415-52-8)

Guidance literature:

With phosphate buffer; nitrilase II; In methanol; at 37 ℃; for 6h; pH=8;

DOI:10.1021/ja0259842

Reference yield: 67.0%

(R)-2-amino-3-(3-fluorophenyl)propionic acid (110117-84-5,2629-54-1) → (R)-3-(3-Fluoro-phenyl)-2-hydroxy-propionic acid (774243-84-4,159415-52-8)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 - 25 ℃; for 3.5h;

Reference yield: 25.0%

3-fluorophenylalanine (456-88-2,2629-54-1) → (RS)-3-(3'-Fluorophenyl)lactic acid (159415-52-8)

Guidance literature:

With hydrogenchloride; water; sodium nitrite; at 0 - 20 ℃; for 52h;

DOI:10.1039/a902731i

upstream raw materials:

(3-fluorophenyl)acetaldehyde cyanohydrin

(3-fluorophenyl)acetic acid

(R)-2-amino-3-(3-fluorophenyl)propionic acid

L-3-fluorophenylalanine