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CS-W001157 4
Total: USD 88.00

7-Bromoisochroman

  • CAS No. 149910-98-5

  • Cat. No. CS-W006297
  • Purity≥98%
  • MDL No.MFCD20040068

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

7-Bromoisochroman|CS-W006297

Structure of 149910-98-5

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General Information

  • CAS No. 149910-98-5
  • Cat. No. CS-W006297
  • Purity ≥98%
  • MDL No. MFCD20040068
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO
  • Molecular Weight 213.07
  • Synonym(s) 7-bromo-3,4-dihydro-1H-isochromene
  • SMILES BrC1=CC=C2CCOCC2=C1

Description

7-Bromoisochroman delivers a brominated scaffold with enhanced reactivity at the 7-position, enabling direct functionalization in cross-coupling and cyclization reactions. This bench-stable heterocycle integrates readily into complex molecular architectures, offering a valuable handle for synthetic diversification in medicinal chemistry and materials science.

Application

7-Bromoisochroman serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo substituent. The isochroman scaffold provides rigidity and favorable pharmacokinetic properties, while the bromine atom offers high functional group tolerance and compatibility with standard coupling protocols. Its bench-stable nature and ease of purification make it ideal for modular synthesis of bioactive compounds and heterocyclic scaffolds.

Synthesis

  • Route1
    • null|null
      203664-53-3
    • ~%
    • In-stock
      7-Bromoisochroman|CS-W006297
      149910-98-5

    References

    • Zhou, Mei-Yan; Kong, Shan-Shan; Zhang, Ling-Qiong; Zhao, Ming; Duan, Jin-Ao; Ou-Yang, Zhen; Wang, Min Tetrahedron Letters, 2013 , vol. 54, # 30 p. 3962 - 3964
  • Route2
    • null|null
      3970-21-6
    • In-stock
      2-(4-Bromophenyl)ethanol|CS-W004747
      4654-39-1
    • ~38%
    • In-stock
      7-Bromoisochroman|CS-W006297
      149910-98-5

    References

    • Liu, Xigong; Sun, Bin; Xie, Zhiyu; Qin, Xiaojun; Liu, Lei; Lou, Hongxiang Journal of Organic Chemistry, 2013 , vol. 78, # 7 p. 3104 - 3112
  • Route3

    References

    • Zhou, Mei-Yan; Kong, Shan-Shan; Zhang, Ling-Qiong; Zhao, Ming; Duan, Jin-Ao; Ou-Yang, Zhen; Wang, Min Tetrahedron Letters, 2013 , vol. 54, # 30 p. 3962 - 3964

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.5218
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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