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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
AK Scientific
Product number
8916AB
Product name
tert-Butyl4-hydroxybutanoate
Packaging
10g
Price
$957
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
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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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TERT-BUTYL 4-HYDROXYBUTYRATE Suppliers

China 113 Europe 1 India 1 Switzerland 1 United Kingdom 2 United States 7 Global 125
Carbosynth
Tel
--
Fax
--
Email
sales@carbosynth.com
Country
United Kingdom
ProdList
6005
Advantage
58
Apollo Scientific Ltd.
Tel
--
Fax
--
Email
sales@apolloscientific.co.uk
Country
United Kingdom
ProdList
6084
Advantage
88
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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