537594

tert-Butyl acetoacetate

reagent grade, 98%

• Sinônimo(s): TBAA
• Fórmula linear: CH₃COCH₂COOC(CH₃)₃
• Número CAS: 1694-31-1
• Peso molecular: 158.19
• Beilstein: 1680303
• Número MDL: MFCD00008811
• Código UNSPSC: 12352100
• ID de substância PubChem: 24878235
• NACRES: NA.22

Propriedades

• grau: reagent grade
• Nível de qualidade: 100
• Ensaio: 98%
• Lim. expl.: 8 % (lit.)
• Impurezas: ≤0.20% water; water
• índice de refração: n20/D 1.419 (lit.)
• pb: 71-72 °C/11 mmHg (lit.)
• pf: -38 °C (lit.)
• densidade: 0.954 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: 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
• chave InChI: JKUYRAMKJLMYLO-UHFFFAOYSA-N

Descrição

Descrição geral

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.

Aplicação

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

Informações de segurança

• Código de classe de armazenamento: 10 - Combustible liquids
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): 150.8 °F - closed cup
• Ponto de fulgor (°C): 66 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Gloves, type ABEK (EN14387) respirator filter