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CS-W001157 4
Total: USD 88.00

2,2-Dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one

  • CAS No. 30914-88-6

  • Cat. No. CS-0038020
  • Purity≥97%
  • MDL No.None

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

2,2-Dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one|CS-0038020

Structure of 30914-88-6

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General Information

  • CAS No. 30914-88-6
  • Cat. No. CS-0038020
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₂
  • Molecular Weight 177.20
  • Synonym(s) 2,2-dimethyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
  • SMILES CC1(NC(C2=C(O1)C=CC=C2)=O)C

Synthesis

  • Route1
    • Salicylamide Hydrochlorothiazide  Impurity|CS-0229245
      65-45-2
    • ~46%
    • In-stock
      2,2-Dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one|CS-0038020
      30914-88-6

    References

    • Biogen, Inc. Patent: US6306840 B1, 2001 ; Title/Abstract Full Text Show Details Biogen, Inc. Patent: US6376538 B1, 2002 ;
  • Route2
    • 2-Chloro-2,2-dimethyl-2H-1,3-benzoxazine|CS-0208054
      74405-07-5
    • null|null
      77-76-9
    • ~88%
    • In-stock
      2,2-Dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one|CS-0038020
      30914-88-6

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2008/141119 A2, 2008 ; Location in patent: Page/Page column 87-88 ; WO 2008/141119 A2
  • Route3
    • null|null
      77-76-9
    • Salicylamide Hydrochlorothiazide  Impurity|CS-0229245
      65-45-2
    • ~98%
    • In-stock
      2,2-Dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one|CS-0038020
      30914-88-6

    References

    • Kamei, Katsuhide; Maeda, Noriko; Nomura, Kayoko; Shibata, Makoto; Katsuragi-Ogino, Ryoko; Koyama, Makoto; Nakajima, Mika; Inoue, Teruyoshi; Ohno, Tomochika; Tatsuoka, Toshio Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 6 p. 1978 - 1992

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.5449
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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