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    3128-06-1

    Catalog No. EBD49043

    CAS 3128-06-1

    Name 4-Acetylbutyricacid

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    Basic Information

    Synonyms: 4-Acetylbutyricacid 5-oxohexanoicacid Ketohexanoicacid 5-Ketohexanoicacid~5-Oxohexanoicacid 5-Ketohexanoicacid

    Molecular Formula: C6H10O3

    Molecular Weight: 130.14

    MDL Number: MFCD00004412

    Categories: Synthetic Chemistry > Organic Building Blocks > Carboxylic Acids and Esters Medicinal Chemistry > Pharmaceutical Intermediates > Drug Synthesis Building Blocks

    Product Description:
    4-Acetylbutyric acid is an organic compound featuring both a ketone and a carboxylic acid functional group. It serves as a versatile bifunctional building block in organic synthesis. Its structure allows for selective reactions at either the carbonyl or the carboxyl group, making it a valuable intermediate for constructing more complex molecules. A primary application of 4-acetylbutyric acid is in the synthesis of pharmaceutical intermediates. It is notably used in the preparation of pyrrolidine derivatives and other nitrogen-containing heterocycles, which are common scaffolds in medicinal chemistry. For instance, it can be cyclized to form lactams or serve as a precursor for GABA-related compounds. This compound is also employed in material science and as a starting point for synthesizing various fine chemicals. As a reactive synthon, it is useful in carbon-carbon bond-forming reactions and ring-closure strategies. Standard safety precautions for handling carboxylic acids and ketones should be observed during its use.
    Physical Properties

    Melting Point: 13-14 °C(lit.)

    Boiling Point: 274-275 °C(lit.)

    Flash Point: >113 °C

    Density: 1.09 g/mL at 25 °C(lit.)

    Refractivity: n20/D 1.4451(lit.)

    mg g kg ml l t