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CS-W001157 4
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N-(Tert-butyl)-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

  • CAS No. 1218791-23-1

  • Cat. No. CS-0175387
  • Purity≥98%
  • MDL No.None

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

N-(Tert-butyl)-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline|CS-0175387

Structure of 1218791-23-1

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General Information

  • CAS No. 1218791-23-1
  • Cat. No. CS-0175387
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₅BN₂O₄
  • Molecular Weight 320.19
  • Synonym(s) N-tert-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
  • SMILES CC(C)(NC1=C([N+]([O-])=O)C=C(B2OC(C)(C(C)(O2)C)C)C=C1)C

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; CHEN, Zhidong; HAO, Ming-Hong; LIU, Weimin; LO, Ho-Yin; LOKE, Pui Leng; MAN, Chuk, Chui; MORWICK, Tina, Marie; NEMOTO, Peter, Allen; TAKAHASHI, Hidenori; TYE, Heather; WU, Lifen Patent: WO2011/68821 A1, 2011 ; Location in patent: Page/Page column 122 ; WO 2011/068821 A1

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   73.63
  • LogP   3.1044
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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