(S)-Butyl 2-hydroxybutanoate

Base Information

• Chemical Name: (S)-Butyl 2-hydroxybutanoate
• CAS No.: 132513-51-0
• Molecular Formula: C8H16 O3
• Molecular Weight: 160.213
• DSSTox Substance ID: DTXSID70580889
• Nikkaji Number: J57.687E
• Wikidata: Q72483416
• Mol file: 132513-51-0.mol

Synonyms:(S)-Butyl 2-hydroxybutanoate;132513-51-0;Butyl (2S)-2-hydroxybutanoate;n-Butyl (S)-2-hydroxybutyrate;(S)-2-Hydroxybutanoic acid n-butyl ester;Butanoic acid, 2-hydroxy-, butyl ester, (2S)-;N-BUTYL(S)-2-HYDROXYBUTYRATE;Butyl (S)-2-hydroxybutanoate;(S)-Butyl2-hydroxybutanoate;butyl (3s)-hydroxybutanoate;SCHEMBL13256196;DTXSID70580889;YFFBWGUXPFAXRS-ZETCQYMHSA-N;AMY32055;AKOS016842431;AS-79470;CS-0148545;A888284

Chemical Property of (S)-Butyl 2-hydroxybutanoate

Chemical Property:

• Boiling Point: 205℃
• PKA: 13.06±0.20(Predicted)
• Flash Point: 79℃
• PSA: 46.53000
• Density: 0.989
• LogP: 1.10060
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

(S)-Butyl2-hydroxybutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-Butyl 2-hydroxybutanoate

There total 12 articles about (S)-Butyl 2-hydroxybutanoate 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: 100.0%

butyl (2R,3S)-2-hydroxy-3-(phenylthio)butanoate (1447829-04-0) → n-butyl (S)-2-hydroxybutanoate (132513-51-0)

Guidance literature:

With Raney Ni; In ethanol; at 20 - 80 ℃; for 10h;

DOI:10.1055/s-0032-1318507

Reference yield: 100.0%

(S)-2-hydroxy-(S)-3-phenylthiobutyric acid n-butyl ester → n-butyl (S)-2-hydroxybutanoate (132513-51-0)

Guidance literature:

Raney nickel; Celite; In ethanol; at 20 - 80 ℃; for 10h;

Reference yield: 99.0%

butyl (S)-2,3-epoxypropanoate (118623-63-5) + MeMgBr → n-butyl (S)-2-hydroxybutanoate (132513-51-0)

Guidance literature:

butyl (S)-2,3-epoxypropanoate; MeMgBr; With copper(l) iodide; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.333333h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; diethyl ether; water; Concentration; Reagent/catalyst; Time; Inert atmosphere;

DOI:10.1055/s-0032-1318507

upstream raw materials:

2-Hydroxybutanoic acid

butan-1-ol

butyl (S)-2,3-epoxypropanoate

methylmagnesium bromide

Downstream raw materials:

C₁₅H₁₉NO₆

n-butyl (R)-2-[3-[[benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoate

n-butyl (R)-2-[3-[N-[3-(4-methoxyphenoxy)propyl]aminomethyl]phenoxy]butyrate