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CS-W001157 4
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tert-Butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

  • CAS No. 928118-00-7

  • Cat. No. CS-0210772
  • Purity≥98%
  • MDL No.MFCD09953419

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

tert-Butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate|CS-0210772

Structure of 928118-00-7

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General Information

  • CAS No. 928118-00-7
  • Cat. No. CS-0210772
  • Purity ≥98%
  • MDL No. MFCD09953419
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₃
  • Molecular Weight 250.29
  • Synonym(s) 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N1CCOC2=C1C=C(C=C2)N

Synthesis

  • Route1
    • tert-Butyl 6-nitro-2,3-dihydro-4h-benzo[b][1,4]oxazine-4-carboxylate|CS-0678741
      928118-23-4
    • ~%
    • tert-Butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate|CS-0210772
      928118-00-7

    References

    • Schering Corporation and Pharmacopeia Drug Discovery, Inc. Patent: US2007/93477 A1, 2007 ; Location in patent: Page/Page column 43 ;
  • Route2
    • null|null
      99-57-0
    • ~%
    • tert-Butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate|CS-0210772
      928118-00-7

    References

    • Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830
  • Route3

    References

    • Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.79
  • LogP   2.4027
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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