(3S)-3-hydroxypentanoic acid

Base Information

• Chemical Name: (3S)-3-hydroxypentanoic acid
• CAS No.: 79516-59-9
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• UNII: 4SN90Z7RSH
• Nikkaji Number: J84.582E
• Wikidata: Q73754203
• Mol file: 79516-59-9.mol

Synonyms:(3S)-3-hydroxypentanoic acid;79516-59-9;(s)-3-hydroxypentanoic acid;(s)-3-hydroxyvaleric acid;4SN90Z7RSH;3-Hydroxypentanoic acid, (3S)-;(3S)-hydroxyvaleric acid;UNII-4SN90Z7RSH;(3S)-hydroxypentanoic acid;SCHEMBL55046;(S)-beta-Hydroxypentanoic acid;CHEBI:139270;REKYPYSUBKSCAT-BYPYZUCNSA-N;(S)-.BETA.-HYDROXYPENTANOIC ACID;EN300-1270285

Chemical Property of (3S)-3-hydroxypentanoic acid

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3S)-3-hydroxypentanoic acid

There total 35 articles about (3S)-3-hydroxypentanoic 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:

ibuprofen (15687-27-1,58560-75-1) → 3-hydroxyvaleric acid (42482-20-2,53538-53-7,79516-59-9,10237-77-1) + 4-oxohexanoic acid (1117-74-4) + 4-acetyl-benzoic acid (586-89-0) + 2-(4-(1-hydroxy-2-methylpropyl)phenyl)propanoic acid (53949-53-4) + 1-(4-isobutylphenyl)ethanol (40150-92-3)

Guidance literature:

With water; titanium(IV) oxide; for 1h; Kinetics; Photolysis; UV-irradiation;

DOI:10.1002/jms.3320

Reference yield:

→ pent-2-enoic acid (626-98-2,13991-37-2,16666-42-5) + 3-hydroxyvaleric acid (42482-20-2,53538-53-7,79516-59-9,10237-77-1)

Guidance literature:

With sodium hydroxide; water; man destilliert das erhaltene Saeuregemisch mit Wasserdampf und extrahiert den Rueckstand mit Aether;

Reference yield:

→ 3-hydroxyvaleric acid (42482-20-2,53538-53-7,79516-59-9,10237-77-1) + N-acetylnorvaline (7682-15-7,15891-50-6,57357-56-9)

Guidance literature:

upstream raw materials:

3-hydroxyvaleronitrile

(S)-(-)-hex-5-en-3-ol

ethyl-3-hydroxypentanoate

malonic acid

Downstream raw materials:

(2R,5R)-2,5-diisopropyl-1-phenylphospholane

carbon dioxide

water

propionic acid

Refernces

• 1、 Johnson, William H.,Stack, Tyler M. M.,Taylor, Stephanie M.,Burks, Elizabeth A.,Whitman, Christian P.. "Stereochemical Consequences of Vinylpyruvate Hydratase-Catalyzed Reactions". . p. 4055 - 4064. Retrieved 2016/08/05.
• 2、 Da Silva, Julio Cesar Cardoso,Teodoro, Janaina Aparecida Reis,Afonso, Robson Jose De Cassia Franco,Aquino, Sergio Francisco,Augusti, Rodinei. "Photolysis and photocatalysis of ibuprofen in aqueous medium: Characterization of by-products via liquid chromatography coupled to high-resolution mass spectrometry and assessment of their toxicities against Artemia Salina". . p. 145 - 153. Retrieved 2014/02/14.