Merck
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537594

Sigma-Aldrich

tert-Butyl acetoacetate

reagent grade, 98%

Synonym(s):
TBAA
Linear Formula:
CH3COCH2COOC(CH3)3
CAS Number:
Molecular Weight:
158.19
Beilstein:
1680303
Numer MDL:
Identyfikator substancji w PubChem:

klasa czystości

reagent grade

Poziom jakości

próba

98%

granice wybuchowości

8 % (lit.)

zanieczyszczenia

≤0.20% water
water

współczynnik refrakcji

n20/D 1.419 (lit.)

tw

71-72 °C/11 mmHg (lit.)

mp

-38 °C (lit.)

gęstość

0.954 g/mL at 25 °C (lit.)

SMILES string

CC(=O)CC(=O)OC(C)(C)C

InChI

1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChI key

JKUYRAMKJLMYLO-UHFFFAOYSA-N

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This Item
B8820928440186791
tert-Butyl acetate ≥99%

Sigma-Aldrich

B88209

tert-Butyl acetate

assay

98%

assay

≥99%

assay

≥97.0% (GC)

assay

97%

refractive index

n20/D 1.419 (lit.)

refractive index

n20/D 1.386 (lit.)

refractive index

n20/D 1.420

refractive index

n20/D 1.423 (lit.)

bp

71-72 °C/11 mmHg (lit.)

bp

97-98 °C (lit.)

bp

40-42 °C/0.1 mmHg (lit.)

bp

48-49 °C/11 mmHg (lit.)

mp

-38 °C (lit.)

mp

-

mp

-

mp

-

density

0.954 g/mL at 25 °C (lit.)

density

0.866 g/mL at 20 °C (lit.)

density

0.988 g/mL at 20 °C (lit.)

density

1.053 g/mL at 25 °C (lit.)

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

200

Opis ogólny

tert-Butyl acetoacetate (t-BAA) is a cheap and easy to store commercial reagent. Reaction demonstrated that the more hindered tert-butyl acetoacetate (t-BAA, la) is ca.15-20-fold more reactive than the more commonly used methyl or ethyl analogs. It is widely employed as an acetoacetylating reagent.

Zastosowanie

tert-Butyl acetoacetate may be used in the synthesis of:
  • various acetoacetic acid derivatives
  • acetoacetates
  • acetoacetamides
  • 1-(diethylamino)-2-acetoacetoxypropane
  • (S)-tert-butyl 3-hydroxybutyrate
  • benzothiazole β-keto ester derivatives
  • 3,4-disubstituted pyrroles

Kod klasy składowania

10 - Combustible liquids

WGK

WGK 1

Temperatura zapłonu °F

150.8 °F - closed cup

Temperatura zapłonu °C

66 °C - closed cup

Środki ochrony indywidualnej

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificate of Analysis

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Certificate of Origin

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