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Benzyl acetoacetate

CAS 5396-89-4CH3COCH2COOCH2C6H5Chemical Synthesis

Benzyl acetoacetate (CAS: 5396-89-4) is an organic ester with the linear formula CH3COCH2COOCH2C6H5 and a molecular weight of 192.21 g/mol. This compound serves as a valuable building block and intermediate in various chemical synthesis applications. It is particularly useful in the production of heterocyclic compounds and pharmaceuticals, owing to its reactive methylene group and ester functionality. Tech Serve Solutions supplies this chemical with Lonza quality.

IUPAC
AC-benzyl,Acetoacetic acid benzyl ester
Synonyms
AC-benzylAcetoacetic acid benzyl ester
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Benzyl acetoacetate (CH3COCH2COOCH2C6H5) — chemical structure, CAS 5396-89-4; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC10 to C11Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Organic Synthesis Intermediate

Benzyl acetoacetate is frequently employed as a versatile intermediate in the synthesis of more complex organic molecules. Its structure allows for various reactions, including alkylation, acylation, and condensation, making it a key component in multi-step synthetic routes.

Pharmaceutical Precursor

This compound acts as a precursor in the development of active pharmaceutical ingredients (APIs). Its functional groups enable the construction of pharmacologically relevant scaffolds and heterocyclic systems found in various drug molecules.

Heterocyclic Chemistry

It is utilized in the construction of diverse heterocyclic compounds, which are integral to medicinal chemistry and material science. The compound's reactivity facilitates cyclisation reactions to form rings such as pyrazoles and pyrimidines.

02 /Properties
Molecular weight192.21
Linear formulaCH3COCH2COOCH2C6H5
Assay≥96% (GC)
GradeLonza quality
Boiling point156-159 °C/10 mmHg(lit.)
Density1.112 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.512(lit.)
03 /Safety & handling
Protective equipmentEyeshields, Gloves
Flash point113 °C / 235.4 °F
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
5396-89-4
Beilstein registry
2049615
05 /Additional specifications
Mfr NoLonza Ltd
06 /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.

07 /Frequently asked questions

What is Benzyl acetoacetate used for?

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Benzyl acetoacetate is primarily used as a versatile intermediate and building block in organic synthesis, particularly in the preparation of pharmaceuticals and heterocyclic compounds.

What is the CAS number and chemical formula for Benzyl acetoacetate?

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The CAS number for Benzyl acetoacetate is 5396-89-4, and its linear formula is CH3COCH2COOCH2C6H5.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Benzyl acetoacetate with Lonza quality, offering a purity of ≥96% (GC). We do not represent this product as USP, BP, or EP grade.

What are the safety and handling recommendations for Benzyl acetoacetate?

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Benzyl acetoacetate has a flash point of 113 °C (235.4 °F). It is recommended to use safety goggles and gloves when handling this chemical. Please consult the Safety Data Sheet (SDS) for comprehensive safety information.

How is Benzyl acetoacetate packed, shipped, and exported?

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Benzyl acetoacetate is carefully packed and handled according to international shipping regulations to ensure safe transit. Tech Serve Solutions is experienced in global export.

How can I request a sample or a quote for Benzyl acetoacetate?

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To request a sample or a quote, please contact our sales team through the website or by phone, providing your specific requirements.

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