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CS-W001157 4
Total: USD 88.00

5-Bromo-2-isopropylisoindolin-1-one

  • CAS No. 864866-47-7

  • Cat. No. CS-0171962
  • Purity≥98%
  • MDL No.None

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

5-Bromo-2-isopropylisoindolin-1-one|CS-0171962

Structure of 864866-47-7

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General Information

  • CAS No. 864866-47-7
  • Cat. No. CS-0171962
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BrNO
  • Molecular Weight 254.12
  • Synonym(s) 5-Bromo-2-isopropyl-2,3-dihydro-isoindol-1-one
  • SMILES CC(C)N1CC2=CC(=CC=C2C1=O)Br

Synthesis

  • Route1
    • 4-Bromo-2-(hydroxymethyl)-N-isopropylbenzamide|CS-0488142
      888030-75-9
    • ~87%
    • null|null
      888030-82-8
    • 5-Bromo-2-isopropylisoindolin-1-one|CS-0171962
      864866-47-7

    References

    • Tsuritani, Takayuki; Kii, Satoshi; Akao, Atsushi; Sato, Kimihiko; Nonoyama, Nobuaki; Mase, Toshiaki; Yasuda, Nobuyoshi Synlett, 2006 , # 5 p. 801 - 803
  • Route2
    • 4-Bromo-2-(hydroxymethyl)-N-isopropylbenzamide|CS-0488142
      888030-75-9
    • ~64%
    • 5-Bromo-2-isopropylisoindolin-1-one|CS-0171962
      864866-47-7

    References

    • Tsuritani, Takayuki; Mizuno, Hiroo; Nonoyama, Nobuaki; Kii, Satoshi; Akao, Atsushi; Sato, Kimihiko; Yasuda, Nobuyoshi; Mase, Toshiaki Organic Process Research and Development, 2009 , vol. 13, # 6 p. 1407 - 1412
  • Route3
    • 4-Bromo-2-(bromomethyl)benzoic acid|CS-0903491
      632340-57-9
    • ~%
    • 5-Bromo-2-isopropylisoindolin-1-one|CS-0171962
      864866-47-7

    References

    • Incyte Corporation; Zhuo, Jincong; Xu, Meizhong; Qian, Ding-Quan Patent: US2014/171405 A1, 2014 ; Location in patent: Page/Page column ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.8133
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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