(3S)-3-hydroxyhexanoic acid

Base Information

• Chemical Name: (3S)-3-hydroxyhexanoic acid
• CAS No.: 66997-60-2
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• UNII: XD4Y8033LB
• DSSTox Substance ID: DTXSID30473965
• Metabolomics Workbench ID: 55530
• Nikkaji Number: J56.609H
• Wikidata: Q27117022
• Mol file: 66997-60-2.mol

Synonyms:(3S)-3-hydroxyhexanoic acid;(S)-3-hydroxyhexanoic acid;66997-60-2;XD4Y8033LB;3-Hydroxyhexanoic acid, (+)-;3-Hydroxyhexanoic acid, (3S)-;Hexanoic acid, 3-hydroxy-, (S)-;Hexanoic acid, 3-hydroxy-, (3S)-;UNII-XD4Y8033LB;3S-hydroxyhexanoic acid;(3S)-Hydroxyhexanoic acid;SCHEMBL54112;CHEBI:37049;DTXSID30473965;HPMGFDVTYHWBAG-YFKPBYRVSA-N;LMFA01050432;6:0(3-OH);EN300-1826330;Q27117022

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

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 90.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about (3S)-3-hydroxyhexanoic 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: 86.0%

(1'R,3S)-3-Hydroxy-N-(2-hydroxy-1-phenylethyl)-hexanamid (87319-85-5) → (-)-(3R)-3-hydroxyhexanoic acid (77877-35-1) + (+)-(3S)-3-hydroxyhexanoic acid (66997-60-2) + D-2-phenylglycinol (56613-80-0)

Guidance literature:

With potassium hydroxide; In methanol; water; for 15h; Heating;

Reference yield: 85.0%

3-Hydroxy-hexanoic acid (R)-2-hydroxy-1,2,2-triphenyl-ethyl ester (95061-50-0) → 3-hydroxyhexanoic acid (10191-24-9,66997-60-2,77877-35-1,88930-06-7) + (R)-1,1,2-triphenylethane-1,2-diol (95061-46-4)

Guidance literature:

With potassium hydroxide; In methanol; water; Heating;

DOI:10.1016/S0040-4039(01)91110-4

Reference yield:

tetrachloromethane (56-23-5) + 6-methyl-pyran-2,4-dione (541-98-0) + water (7732-18-5) → 6-methyltetrahydropyran-2,4-dione (85825-79-2) + 3-penten-2-one (625-33-2) + 3-hydroxyhexanoic acid (10191-24-9,66997-60-2,77877-35-1,88930-06-7)

Guidance literature:

Hydrogenation;

upstream raw materials:

hex-3-enoic acid

3-Hydroxy-hexanoic acid (R)-2-hydroxy-1,2,2-triphenyl-ethyl ester

furan-2-yl-acetic acid

acetic acid

Downstream raw materials:

2-hexenoic acid

2-acetoacetic acid

2-Pentanone

5-hydroxy-3-oxo-2-(triphenyl-λ⁵-phosphanylidene)-octanenitrile