Cas no 84583-31-3 (Propanedioic acid, methyl[[3-[(phenylsulfonyl)methyl]-2-pyridinyl]methyl]-, diethyl ester)

Propanedioic acid, methyl[[3-[(phenylsulfonyl)methyl]-2-pyridinyl]methyl]-, diethyl ester structure
84583-31-3 structure
Product Name:Propanedioic acid, methyl[[3-[(phenylsulfonyl)methyl]-2-pyridinyl]methyl]-, diethyl ester
CAS No:84583-31-3
MF:C21H25NO6S
MW:419.491305112839
CID:6640053
Update Time:2024-02-02

Propanedioic acid, methyl[[3-[(phenylsulfonyl)methyl]-2-pyridinyl]methyl]-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, methyl[[3-[(phenylsulfonyl)methyl]-2-pyridinyl]methyl]-, diethyl ester
    • Inchi: 1S/C21H25NO6S/c1-4-27-19(23)21(3,20(24)28-5-2)14-18-16(10-9-13-22-18)15-29(25,26)17-11-7-6-8-12-17/h6-13H,4-5,14-15H2,1-3H3
    • InChI Key: UURUPQCRWXAPJM-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)C(C)(CC1=NC=CC=C1CS(C1=CC=CC=C1)(=O)=O)C(OCC)=O

Experimental Properties

  • Density: 1.231±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Melting Point: 77-78 °C(Solvent: Hexane ; Diethyl ether)
  • Boiling Point: 570.1±50.0 °C(Predicted)
  • pka: 2.83±0.22(Predicted)
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