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4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

  • CAS No. 1218790-29-4

  • Cat. No. CS-0136782
  • Purity≥95%
  • MDL No.MFCD15143610

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

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0136782

Structure of 1218790-29-4

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General Information

  • CAS No. 1218790-29-4
  • Cat. No. CS-0136782
  • Purity ≥95%
  • MDL No. MFCD15143610
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BNO₄
  • Molecular Weight 289.13
  • Synonym(s) 4-METHYL-1,4-BENZOXAZIN-3-ONE-6-BORONIC ACID, PINACOL ESTER
  • SMILES O=C1COC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2N1C

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; FORD, Rhonan; METE, Antonio; MATHER, Andrew; MILLICHIP, Ian Patent: WO2010/128324 A1, 2010 ; Location in patent: Page/Page column 71 ; WO 2010/128324 A1
  • Route2

    References

    • Incyte Corporation; Zhuo, Jincong; Xu, Meizhong; Qian, Ding-Quan Patent: US2014/171405 A1, 2014 ; Location in patent: Page/Page column ;
  • Route3

    References

    • Incyte Corporation; Zhuo, Jincong; Xu, Meizhong; Qian, Ding-Quan Patent: US2014/171405 A1, 2014 ;

Safety Information

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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   48
  • LogP   1.341
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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