537594

tert-Butyl acetoacetate

reagent grade, 98%

• Synonym(s): TBAA
• Linear Formula: CH₃COCH₂COOC(CH₃)₃
• CAS Number: 1694-31-1
• Molecular Weight: 158.19
• Beilstein: 1680303
• Numer MDL: MFCD00008811
• Identyfikator substancji w PubChem: 24878235

Properties

• klasa czystości: reagent grade
• Poziom jakości: 100
• 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

Description

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

Safety Information

• 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