Cas no 1245939-87-0 (1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone)

1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone is a versatile intermediate in organic synthesis, particularly valued for its pyrrolidine scaffold and reactive chloromethyl functionality. This compound is commonly employed in pharmaceutical and agrochemical research, where it serves as a key building block for the development of bioactive molecules. Its chloromethyl group enables further functionalization through nucleophilic substitution, facilitating the introduction of diverse substituents. The pyrrolidine ring contributes to conformational rigidity, enhancing binding affinity in target applications. The compound is typically handled under controlled conditions due to its reactivity. Its synthetic utility and structural features make it a valuable tool for medicinal chemistry and drug discovery efforts.
1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone structure
1245939-87-0 structure
Product Name:1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone
CAS No:1245939-87-0
MF:C7H12ClNO
MW:161.629281044006
CID:2155910
Update Time:2025-06-09

1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone
    • AM91228
    • 1-(3-Chloromethylpyrrolidin-1-yl)ethanone
    • 1-[3-(chloromethyl)pyrrolidin-1-yl]ethan-1-one
    • Inchi: 1S/C7H12ClNO/c1-6(10)9-3-2-7(4-8)5-9/h7H,2-5H2,1H3
    • InChI Key: RMJRKYTZDLUMEU-UHFFFAOYSA-N
    • SMILES: ClCC1CN(C(C)=O)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 138
  • Topological Polar Surface Area: 20.3

1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
087485-1g
1-(3-Chloromethyl-pyrrolidin-1-yl)-ethanone
1245939-87-0
1g
£526.00 2022-03-01
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