Description

1-Phenylethyl 2,2-Dichloroacetoacetate is a specialized organic ester compound, identified by CAS 85153-57-7, that serves as a versatile chiral building block and intermediate in advanced chemical synthesis. Its molecular structure, featuring both a phenylethyl group and a reactive dichloroacetoacetate moiety, makes it a valuable precursor for the development of pharmaceuticals, agrochemicals, and fine chemicals. This high-purity intermediate is essential for research and production chemists in the pharmaceutical and specialty chemical industries seeking to introduce specific chiral centers and functional groups into complex target molecules.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds requiring specific stereochemistry.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides where its dichloroacetate functionality is incorporated into the final molecule.
• Fine Chemical Production: Serves as a building block for complex fragrance compounds, dyes, and other high-value specialty chemicals.
• Academic & Industrial Research: Employed in chemical research for method development, catalysis studies, and exploring new synthetic pathways.
• Peptide Mimetics & Modifiers: Potential use in creating modified amino acid derivatives or peptide-like structures for biochemical applications.

Basic Information

Product Name	1-Phenylethyl 2,2-Dichloroacetoacetate
CAS No.	85153-57-7
Molecular Formula	C12H12Cl2O3
Molecular Weight	275.13 g/mol
Synonyms	2,2-Dichloro-3-oxobutanoic acid 1-phenylethyl ester; (RS)-1-Phenylethyl 2,2-dichloroacetoacetate; α-Methylbenzyl 2,2-dichloroacetoacetate; 1-Phenylethyl dichloroacetoacetate; DL-1-Phenylethyl 2,2-dichloro-3-oxobutanoate; (±)-1-Phenylethyl 2,2-dichloroacetoacetate; Acetoacetic acid, 2,2-dichloro-, 1-phenylethyl ester
EINECS	Contact for details

Quality Control

Our 1-Phenylethyl 2,2-Dichloroacetoacetate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chromatographic purity assays and identity confirmation, to ensure it meets the high standards required for synthetic applications. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay, enantiomeric purity (if applicable), and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Specific Rotation (if chiral)	Contact for details

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.