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CS-W001157 4
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tert-Butyl 3-iodo-1H-indazole-1-carboxylate

  • CAS No. 290368-00-2

  • Cat. No. CS-W006628
  • Purity≥98%
  • MDL No.MFCD09835520

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

tert-Butyl 3-iodo-1H-indazole-1-carboxylate|CS-W006628

Structure of 290368-00-2

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General Information

  • CAS No. 290368-00-2
  • Cat. No. CS-W006628
  • Purity ≥98%
  • MDL No. MFCD09835520
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃IN₂O₂
  • Molecular Weight None
  • Synonym(s) 1H-Indazole-1-carboxylicacid, 3-iodo-, 1,1-dimethylethyl ester
  • SMILES C(=O)(OC(C)(C)C)[N]2C1=CC=CC=C1C(=N2)I

Synthesis

  • Route1

    References

    • WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH; THE BROAD INSTITUTE, INC.; MASSACHUSETTS INSTITUTE OF TECHNOLOGY; VINCENT, Benjamin; WHITESELL, Luke; LINDQUIST, Susan, L.; YOUNGSAYE, Willmen; BUCHWALD, Stephen, L.; LANGLOIS, Jena-baptiste; NAG, Partha, P.; TING, Amal; MORGAN, Barbara, J.; MUNOZ, Benito; DANDAPANI, Sivaraman; PU, Jun; TIDOR, Bruce; SRINIVAS, Raja, R. Patent: WO2014/47662 A2, 2014 ; Location in patent: Paragraph 00283 ;
  • Route2

    References

    • Merkul, Eugen; Klukas, Fabian; Dorsch, Dieter; Graedler, Ulrich; Greiner, Hartmut E.; Mueller, Thomas J. J. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 14 p. 5129 - 5136
  • Route3

    References

    • Herdemann, Matthias; Weber, Alexander; Jonveaux, Jerome; Schwoebel, Frank; Stoeck, Michael; Heit, Isabelle Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1852 - 1856

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

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   3.4241
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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