Cas no 937796-10-6 (2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde)

2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde is a versatile heterocyclic compound featuring a pyrrolidine-substituted pyrimidine core with an aldehyde functional group at the 5-position. This structure makes it a valuable intermediate in organic synthesis, particularly for the construction of pharmaceuticals, agrochemicals, and functional materials. The aldehyde group offers reactivity for further derivatization, enabling condensation, nucleophilic addition, or reductive amination reactions. Its pyrrolidine moiety enhances solubility and modulates electronic properties, facilitating applications in medicinal chemistry and ligand design. The compound’s well-defined reactivity and stability under standard conditions make it suitable for scalable synthetic processes. It is commonly utilized in the development of bioactive molecules and as a building block in multicomponent reactions.
2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde structure
937796-10-6 structure
Product Name:2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS No:937796-10-6
MF:C9H11N3O
MW:177.203141450882
MDL:MFCD09863239
CID:69596
PubChem ID:24229766
Update Time:2025-06-07

2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
    • 2-Pyrrolidin-1-ylpyrimidine-5-carbaldehyde
    • 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde(SALTDATA: FREE)
    • DTXSID40640469
    • 2-Pyrrolidinylpyrimidine-5-Carboxaldehyde
    • MFCD09863239
    • 937796-10-6
    • SCHEMBL1133951
    • AB53779
    • A859639
    • FT-0706109
    • 2-(Pyrrolidin-1-yl)pyrimidine-5-carboxaldehyde
    • AKOS000284170
    • EN300-36167
    • 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde, AldrichCPR
    • 2-(1-PYRROLIDINYL)-5-PYRIMIDINECARBALDEHYDE
    • PS-3780
    • Z362767772
    • DB-079701
    • G84710
    • MDL： MFCD09863239
    • Inchi： 1S/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2
    • InChI Key： KJMKROLYLRRJDN-UHFFFAOYSA-N
    • SMILES： O=CC1C=NC(=NC=1)N1CCCC1

Computed Properties

  • Exact Mass: 177.09000
  • Monoisotopic Mass: 177.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.1A^2
  • XLogP3: 0.6

Experimental Properties

  • Color/Form: No data available
  • Density: 1.247
  • Melting Point: 120-121.5°C
  • Boiling Point: 363.26 °C at 760 mmHg
  • Flash Point: 363.26 °C at 760 mmHg
  • Refractive Index: 1.612
  • PSA: 46.09000
  • LogP: 0.95430
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde Security Information

2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde Pricemore >>

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