tert-Butyl (R)-2-hydroxybutyrate

Base Information

• Chemical Name: tert-Butyl (R)-2-hydroxybutyrate
• CAS No.: 206996-51-2
• Molecular Formula: C₈H₁₆O₃
• Molecular Weight: 160.213
• Hs Code.: 2918199090
• European Community (EC) Number: 621-001-8,829-903-5
• Wikidata: Q76507858
• Mol file: 206996-51-2.mol

Synonyms:206996-51-2;tert-Butyl (R)-2-hydroxybutyrate;(R)-tert-Butyl 2-hydroxybutanoate;TERT-BUTYL-(R)-(+)-2-HYDROXYBUTYRATE;Tert-butyl(R)-2-hydroxybutyrate;TERT-BUTYL (2R)-2-HYDROXYBUTANOATE;110171-06-7;TERT-BUTYL (R)-2-HYDROXYBUTANOATE;Butanoic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (2R)-;MFCD00210055;TERT-BUTYL (R)-(+)-2-HYDROXYBUTYRATE;SCHEMBL473139;(R)-tert-Butyl2-hydroxybutanoate;tert-Butyl(R)-3-hydroxybutanoate;AKOS015893991;DS-16712;tert-Butyl (R)-2-hydroxybutyrate, 98%;CS-0112423;C73921;J-013533;tert-Butyl (R)-2-hydroxybutyrate, purum, >=98.0% (sum of enantiomers, GC)

Chemical Property of tert-Butyl (R)-2-hydroxybutyrate

Chemical Property:

• Vapor Pressure: 0.286mmHg at 25°C
• Melting Point: 52-54 ºC(lit.)
• Boiling Point: 179.1 ºC at 760 mmHg
• PKA: 13.07±0.20(Predicted)
• Flash Point: 58.8 ºC
• PSA: 46.53000
• Density: 0.988 g/cm³
• LogP: 1.09900
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl (R)-2-hydroxybutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl (R)-2-hydroxybutyrate

There total 1 articles about tert-Butyl (R)-2-hydroxybutyrate 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:

tert-butyl 2-oxybutanoate (37472-51-8) → (R)-2-hydroxy-butyric acid tert-butyl ester (206996-51-2) + (S)-tert-butyl 2-hydroxybutanoate (37787-90-9)

Guidance literature:

With 3-pinanyl-9-borabicyclo[3.3.1]nonane; at 0 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00209a008

Reference yield: 52.0%

3-({benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenol (848260-89-9) + (R)-2-hydroxy-butyric acid tert-butyl ester (206996-51-2) → C32H38N2O6

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; Product distribution / selectivity;

Reference yield: 35.0%

C22H19ClN2O3 (916515-32-7) + (R)-2-hydroxy-butyric acid tert-butyl ester (206996-51-2) → C30H33ClN2O5

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; Product distribution / selectivity;

upstream raw materials:

tert-butyl 2-oxybutanoate