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CS-W001157 4
Total: USD 88.00

5-(tert-Butyl)-2-(chloromethyl)oxazole

  • CAS No. 224441-73-0

  • Cat. No. CS-0012951
  • Purity≥96%
  • MDL No.MFCD08236738

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

5-(tert-Butyl)-2-(chloromethyl)oxazole|CS-0012951

Structure of 224441-73-0

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General Information

  • CAS No. 224441-73-0
  • Cat. No. CS-0012951
  • Purity ≥96%
  • MDL No. MFCD08236738
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂ClNO
  • Molecular Weight 173.64
  • Synonym(s) 5-tert-Butyl-2-(chloromethyl)oxazole
  • SMILES CC(C1=CN=C(CCl)O1)(C)C

Synthesis

  • Route1
    • 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide|CS-0365240
      333389-44-9
    • ~82%
    • In-stock
      5-(tert-Butyl)-2-(chloromethyl)oxazole|CS-0012951
      224441-73-0

    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
  • Route2
    • null|null
      6832-15-1
    • In-stock
      Sodium bicarbonate|CS-0015748
      144-55-8
    • ~%
    • In-stock
      5-(tert-Butyl)-2-(chloromethyl)oxazole|CS-0012951
      224441-73-0

    References

    • US6040321 A1, ; US 6040321 A
  • Route3
    • null|null
      76779-98-1
    • ~%
    • In-stock
      5-(tert-Butyl)-2-(chloromethyl)oxazole|CS-0012951
      224441-73-0

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 7 p. 1719 - 1728

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.7109
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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