tert-Butyl acetoacetate

CAS 1694-31-1CH3COCH2COOC(CH3)3Chemical Synthesis

Tert-Butyl acetoacetate (CAS: 1694-31-1), with the molecular formula C8H14O3 and a molecular weight of 158.19 g/mol, is a valuable organic building block. This ester is widely employed in organic synthesis for its reactive methylene group and tert-butyl ester functionality. It serves as a key intermediate in the preparation of various heterocyclic compounds and fine chemicals, contributing to advancements in materials science and pharmaceuticals.

IUPAC: TBAA

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tert-Butyl acetoacetate (CH3COCH2COOC(CH3)3) — chemical structure, CAS 1694-31-1; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksC8 to C9Carbonyl CompoundsChemical SynthesisEsters

01 /Applications

Organic Synthesis Intermediate

Tert-Butyl acetoacetate is a versatile reagent used in numerous organic transformations. Its diketone structure allows for facile alkylation, acylation, and condensation reactions, making it instrumental in constructing complex molecular architectures.

Heterocyclic Compound Synthesis

This compound is frequently utilised in the synthesis of diverse heterocyclic systems, including pyrazoles, pyrimidines, and coumarins. These heterocycles often form the core structures of pharmaceuticals and agrochemicals.

Fine Chemical Production

It acts as a crucial precursor in the multi-step synthesis of specialised fine chemicals. The tert-butyl ester group can be selectively cleaved under mild conditions, offering synthetic flexibility.

02 /Properties

Molecular weight	158.19
Linear formula	CH3COCH2COOC(CH3)3
Assay	98%
Grade	purum
Boiling point	71-72 °C/11 mmHg(lit.)
Density	0.954 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.419(lit.)

03 /Safety & handling

Protective equipment	Eyeshields, Gloves
Transport (UN / ADR)	NA 1993 / PGIII
Water hazard class (WGK, DE)	1

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

1694-31-1

MDL number

MFCD00008811

PubChem substance

24845032

Beilstein registry

1680303

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is tert-Butyl acetoacetate used for?

Tert-Butyl acetoacetate is primarily used as an intermediate in organic synthesis, particularly for the preparation of heterocyclic compounds and other fine chemicals.

What is the CAS number and chemical formula for tert-Butyl acetoacetate?

The CAS number for tert-Butyl acetoacetate is 1694-31-1, and its linear formula is CH3COCH2COOC(CH3)3.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies tert-Butyl acetoacetate in a 'purum' grade with an assay of 98%. We do not represent this product as USP, BP, or EP grade.

How should tert-Butyl acetoacetate be handled safely?

Handling requires appropriate personal protective equipment, including eyeshields and gloves. Refer to the safety data sheet for detailed handling and hazard information.

How is tert-Butyl acetoacetate shipped and exported?

Tert-Butyl acetoacetate is shipped and exported according to relevant regulations, including classification as NA 1993 / PGIII. Please contact us for specific shipping details.