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CS-W001157 4
Total: USD 88.00

2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide

  • CAS No. 333389-44-9

  • Cat. No. CS-0365240
  • Molecule weight191.66
  • Purity95+%
  • MDL No.None

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

2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide|CS-0365240

Structure of 333389-44-9

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General Information

  • CAS No. 333389-44-9
  • Cat. No. CS-0365240
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄ClNO₂
  • Molecular Weight 191.66
  • Synonym(s) None
  • SMILES CC(C)(C(CNC(CCl)=O)=O)C

Synthesis

  • Route1
    • null|null
      76779-98-1
    • ~%
    • 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide|CS-0365240
      333389-44-9

    References

    • CURIS, INC. Patent: WO2009/36016 A1, 2009 ;
  • Route2

    References

    • Misra, Raj N.; Xiao, Hai-Yun; Kim, Kyoung S.; Lu, Songfeng; Han, Wen-Ching; Barbosa, Stephanie A.; Hunt, John T.; Rawlins, David B.; Shan, Weifang; Ahmed, Syed Z.; Qian, Ligang; Chen, Bang-Chi; Zhao, Rulin; Bednarz, Mark S.; Kellar, Kristen A.; Mulheron, Janet G.; Batorsky, Roberta; Roongta, Urvashi; Kamath, Amrita; Marathe, Punit; Ranadive, Sunanda A.; Sack, John S.; Tokarski, John S.; Pavletich, Nikola P.; Lee, Francis Y. F.; Webster, Kevin R.; Kimball, S. David Journal of Medicinal Chemistry, 2004 , vol. 47, # 7 p. 1719 - 1728
  • Route3
    • null|null
      13547-70-1
    • ~%
    • 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide|CS-0365240
      333389-44-9

    References

    • CURIS, INC. Patent: WO2009/36016 A1, 2009 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   0.9566
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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