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N-(1,3-Dioxaindan-5-yl)-2-chloro-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide

  • CAS No. 851452-58-9

  • Cat. No. CS-0224538
  • Purity≥98%
  • MDL No.MFCD06379302

*For research and further manufacturing use only, not for direct human use.

N-(1,3-Dioxaindan-5-yl)-2-chloro-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide|CS-0224538

Structure of 851452-58-9

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General Information

  • CAS No. 851452-58-9
  • Cat. No. CS-0224538
  • Purity ≥98%
  • MDL No. MFCD06379302
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₁₈ClNO₄
  • Molecular Weight 359.80
  • Synonym(s) N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
  • SMILES O=C(N(C1=CC2=C(OCO2)C=C1)CC3=CC=CC=C3OCC=C)CCl

Description

This acrylamide derivative features a prop-2-en-1-yloxy-substituted phenyl group and a 1,3-dioxindan moiety, combining electron-rich aromaticity with a reactive α,β-unsaturated carbonyl system. The molecule integrates seamlessly into bioconjugation workflows, offering enhanced stability under standard conditions while enabling site-specific labeling via Michael addition.

Application

N-(1,3-Dioxaindan-5-yl)-2-chloro-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of complex heterocyclic scaffolds. Its pendant allyl ether and chloroacetamide functionalities provide orthogonal reactivity for sequential transformations. The dioxindole core offers enhanced stability and facilitates downstream derivatization, while the overall structure supports mild reaction conditions and straightforward purification—ideal for medicinal chemistry campaigns and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   48
  • LogP   3.7521
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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