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CS-W001157 4
Total: USD 88.00

tert-Butyl (4-(chloromethyl)phenyl)carbamate

  • CAS No. 916578-53-5

  • Cat. No. CS-0079599
  • Molecule weight241.71
  • Purity≥97%
  • MDL No.None

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

tert-Butyl (4-(chloromethyl)phenyl)carbamate|CS-0079599

Structure of 916578-53-5

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General Information

  • CAS No. 916578-53-5
  • Cat. No. CS-0079599
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆ClNO₂
  • Molecular Weight 241.71
  • Synonym(s) tert-butyl 4-(chloromethyl)phenylcarbamate
  • SMILES O=C(OC(C)(C)C)NC1=CC=C(CCl)C=C1

Synthesis

  • Route1

    References

    • NOVARTIS AG; XENON PHARMACEUTICALS INC. Patent: WO2008/127349 A2, 2008 ; Location in patent: Page/Page column 103 ; WO 2008/127349 A2
  • Route2

    References

    • Nasim, Shama; Guzman, Monica L.; Jordan, Craig T.; Crooks, Peter A. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 16 p. 4879 - 4883

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.7724
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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