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CS-W001157 4
Total: USD 88.00

(R)-2-chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1H-imidazole

  • CAS No. 681490-93-7

  • Cat. No. CS-0541366
  • Molecule weight217.61
  • Purity≥97%
  • MDL No.None

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

(R)-2-chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1H-imidazole|CS-0541366

Structure of 681490-93-7

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General Information

  • CAS No. 681490-93-7
  • Cat. No. CS-0541366
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈ClN₃O₃
  • Molecular Weight 217.61
  • Synonym(s) (R)-2-chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole
  • SMILES [O-][N+](C(N=C1Cl)=CN1C[C@@]2(CO2)C)=O

Synthesis

  • Route1
    • Benzenesulfonic acid, 4-nitro-, [(2S)-2-methyloxiranyl]methyl ester|CS-0039615
      683276-63-3
    • In-stock
      2-Chloro-5-nitro-1H-imidazole|CS-W018201
      57531-37-0
    • ~64%
    • In-stock
      (R)-2-chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1H-imidazole|CS-0541366
      681490-93-7

    References

    • Otsuka Pharmaceutical Company, Limited Patent: EP1553088 A1, 2005 ; Location in patent: Page/Page column 50-51 ;
  • Route2
    • null|null
      681490-92-6
    • ~%
    • In-stock
      (R)-2-chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1H-imidazole|CS-0541366
      681490-93-7

    References

    • Sasaki, Hirofumi; Haraguchi, Yoshikazu; Itotani, Motohiro; Kuroda, Hideaki; Hashizume, Hiroyuki; Tomishige, Tatsuo; Kawasaki, Masanori; Matsumoto, Makoto; Komatsu, Makoto; Tsubouchi, Hidetsugu Journal of Medicinal Chemistry, 2006 , vol. 49, # 26 p. 7854 - 7860
  • Route3
    • null|null
      681490-91-5
    • ~%
    • In-stock
      (R)-2-chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1H-imidazole|CS-0541366
      681490-93-7

    References

    • Sasaki, Hirofumi; Haraguchi, Yoshikazu; Itotani, Motohiro; Kuroda, Hideaki; Hashizume, Hiroyuki; Tomishige, Tatsuo; Kawasaki, Masanori; Matsumoto, Makoto; Komatsu, Makoto; Tsubouchi, Hidetsugu Journal of Medicinal Chemistry, 2006 , vol. 49, # 26 p. 7854 - 7860

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   73.49
  • LogP   1.2336
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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