ChemicalBook > CAS DataBase List > TERT-BUTYL 4-HYDROXYBUTYRATE

TERT-BUTYL 4-HYDROXYBUTYRATE

Product Name: TERT-BUTYL 4-HYDROXYBUTYRATE
CAS No.: 59854-12-5
Chemical Name: TERT-BUTYL 4-HYDROXYBUTYRATE
Synonyms: tert-butyl 4-hydroxybutanoate;4-Hydroxy-butyric acid tert-butyl ester;tert-butyl 4-hydroxybutanoate - [B87055];2-(2-hydroxyethyl)-3,3-dimethylbutanoate;Butanoic acid, 4-hydroxy-, 1,1-diMethylethyl ester
CBNumber: CB6497327
Molecular Formula: C8H16O3
Formula Weight: 160.21
MOL File: 59854-12-5.mol

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TERT-BUTYL 4-HYDROXYBUTYRATE Property

Boiling point:: 73-74 °C(Press: 2.0-3.0 Torr)
Density: 0.976 g/mL at 20 °C
refractive index: n20/D 1.431
Flash point:: >70℃
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
form: Oil
pka: 14.86±0.10(Predicted)
color: Colourless to Pale Yellow
InChI: InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3
InChIKey: RXGFTUPFXKYRMW-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)CCCO

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Safety

Hazard Codes: Xn
Risk Statements: 22
WGK Germany: 3
HS Code: 2915601990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H319Causes serious eye irritation

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B693210
Product name: tert-Butyl4-Hydroxybutanoate
Packaging: 10g
Price: $910
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB157013
Product name: tert-Butyl 4-hydroxybutyrate
Packaging: 100mg
Price: $100
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB157013
Product name: tert-Butyl 4-hydroxybutyrate
Packaging: 250mg
Price: $150
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB157013
Product name: tert-Butyl 4-hydroxybutyrate
Packaging: 500mg
Price: $200
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB157013
Product name: tert-Butyl 4-hydroxybutyrate
Packaging: 1g
Price: $250
Updated: 2021/12/16

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TERT-BUTYL 4-HYDROXYBUTYRATE Chemical Properties,Usage,Production

Uses

tert-Butyl 4-Hydroxybutanoate is used as a reagent in the synthesis of theranostic vitamin-linker-taxoid conjugates. tert-Butyl 4-Hydroxybutanoate is also used as a reagent in the synthesis of teroxazoles as α-helix mimetics.

Synthesis

15026-17-2

59854-12-5

General procedure for the synthesis of tert-butyl 4-hydroxybutyrate from mono-tert-butyl succinate: BH3-Me2S (2.0 M solution in THF, 6.6 mL, 13.1 mmol) was slowly added dropwise to a solution of mono-tert-butyl succinate (2.12 g, 12.2 mmol) in anhydrous THF (20 mL) that was cooled to 0 °C. The reaction mixture was gradually warmed to room temperature and stirred continuously for 24 hours. Upon completion of the reaction, EtOAc (100 mL) was added for dilution and the organic layer was separated. The organic layer was washed sequentially with water (70 mL) and saturated saline (70 mL) and dried with anhydrous MgSO4. After filtration, the solvent was removed by concentration under reduced pressure to afford tert-butyl 4-hydroxybutyrate (1.92 g, 12.2 mmol, quantitative yield), the product was a light yellow oil, which could be used in the subsequent reaction without further purification.

References

[1] Tetrahedron, 2014, vol. 70, # 44, p. 8343 - 8347
[2] Bioconjugate Chemistry, 2010, vol. 21, # 5, p. 979 - 987
[3] Beilstein Journal of Organic Chemistry, 2017, vol. 13, p. 2428 - 2441
[4] Journal of Organic Chemistry, 2003, vol. 68, # 17, p. 6679 - 6684
[5] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 18, p. 4004 - 4009

TERT-BUTYL 4-HYDROXYBUTYRATE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from TERT-BUTYL 4-HYDROXYBUTYRATE manufacturers

Career Henan Chemical Co

Product: TERT-BUTYL 4-HYDROXYBUTYRATE 59854-12-5
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2019-12-24

59854-12-5, TERT-BUTYL 4-HYDROXYBUTYRATERelated Search:

Fmoc-Asp(OtBu)-OH DIHYDROCYTOCHALASIN B H-ASP(OTBU)-OTBU HCL N-Cbz-L-Aspartic acid 4-tert-butyl ester Boc-Asp-OtBu D-Aspartic acid 4-tert-butyl ester BOC-ASP(OTBU)-OSU L-Fmoc-Aspartic acid alpha-tert-butyl ester FMOC-ASP(OTBU)-OPFP 4-tert-Butyl N-[(tert-butoxy)carbonyl]-L-aspartate dicyclohexylamine salt Z-ASP(OTBU)-OH DCHA Boc-L-aspartic acid 4-tert-butyl ester Fmoc-D-Aspartic acid beta-tert-butyl ester L-Aspartic acid 4-tert-butyl ester BOC-ASP(OTBU)-ONP L-ASPARTIC ACID DI-TERT-BUTYL ESTER DIBENZENESULFIMIDE SALT N-ALPHA-BENZYLOXYCARBONYL-L-ASPARTIC ACID ALPHA-TERT-BUTYL ESTER DICYCLOHEXYLAMINE BOC-D-ASP(OTBU)-OH DCHA

2-(2-hydroxyethyl)-3,3-dimethylbutanoate

tert-butyl 4-hydroxybutanoate

Butanoic acid, 4-hydroxy-, 1,1-diMethylethyl ester

4-Hydroxy-butyric acid tert-butyl ester

tert-butyl 4-hydroxybutanoate - [B87055]

59854-12-5