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CS-W001157 4
Total: USD 88.00

4-Amino-2,6-dimethylbenzaldehyde

  • CAS No. 63405-90-3

  • Cat. No. CS-0223640
  • Purity95+%
  • MDL No.None

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

4-Amino-2,6-dimethylbenzaldehyde|CS-0223640

Structure of 63405-90-3

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General Information

  • CAS No. 63405-90-3
  • Cat. No. CS-0223640
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO
  • Molecular Weight 149.19
  • Synonym(s) Benzaldehyde, 4-amino-2,6-dimethyl- (9CI)
  • SMILES CC1=C(C=O)C(=CC(=C1)N)C

Synthesis

  • Route1

    References

    • NOVARTIS AG Patent: WO2008/73865 A2, 2008 ; Location in patent: Page/Page column 65 ; WO 2008/073865 A2
  • Route2
    • 2,2,2-Trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide|CS-0173732
      1021165-90-1
    • ~90%
    • 4-Amino-2,6-dimethylbenzaldehyde|CS-0223640
      63405-90-3

    References

    • Serrano-Wu, Michael H.; Coppola, Gary M.; Gong, Yongjin; Neubert, Alan D.; Chatelain, Ricardo; Clairmont, Kevin B.; Commerford, Renee; Cosker, Theresa; Daniels, Thomas; Hou, Ying; Jain, Monish; Juedes, Marlene; Li, Lisha; Mullarkey, Tara; Rocheford, Erik; Sung, Moo Je; Tyler, Andrew; Yang, Qing; Yoon, Taeyoung; Hubbard, Brian K. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 5 p. 411 - 415
  • Route3
    • N-(4-Bromo-3,5-dimethylphenyl)-2,2,2-trifluoroacetamide|CS-0195352
      306297-11-0
    • ~%
    • 4-Amino-2,6-dimethylbenzaldehyde|CS-0223640
      63405-90-3

    References

    • Serrano-Wu, Michael H.; Coppola, Gary M.; Gong, Yongjin; Neubert, Alan D.; Chatelain, Ricardo; Clairmont, Kevin B.; Commerford, Renee; Cosker, Theresa; Daniels, Thomas; Hou, Ying; Jain, Monish; Juedes, Marlene; Li, Lisha; Mullarkey, Tara; Rocheford, Erik; Sung, Moo Je; Tyler, Andrew; Yang, Qing; Yoon, Taeyoung; Hubbard, Brian K. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 5 p. 411 - 415

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.69814
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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