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CS-W001157 4
Total: USD 88.00

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

  • CAS No. 117445-22-4

  • Cat. No. CS-W002599
  • Purity≥96%
  • MDL No.MFCD00273426

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

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid|CS-W002599

Structure of 117445-22-4

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General Information

  • CAS No. 117445-22-4
  • Cat. No. CS-W002599
  • Purity ≥96%
  • MDL No. MFCD00273426
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₄
  • Molecular Weight 251.28
  • Synonym(s) Boc-3-Aminomethylbenzoic acid
  • SMILES O=C(OC(C)(C)C)NCc1cccc(c1)C(=O)O

Synthesis

  • Route1

    References

    • ANTHEM BIOSCIENCES PRIVATE LIMITED Patent: US2012/101099 A1, 2012 ; Location in patent: Page/Page column 28-30 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 13 p. 2175 - 2179
  • Route3

    References

    • Jackson, Sharon; DeGrado, William; Dwivedi, Anil; Parthasarathy, Anju; Higley, Anne; Krywko, James; Rockwell, Arlene; Markwalder, Jay; Wells, Greg; Wexler, Ruth; Mousa, Shaker; Harlow, Richard Journal of the American Chemical Society, 1994 , vol. 116, # 8 p. 3220 - 3230

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   2.4095
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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