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tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 935534-31-9

  • Cat. No. CS-0498745
  • Purity≥98%
  • MDL No.MFCD09261217

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

tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0498745

Structure of 935534-31-9

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General Information

  • CAS No. 935534-31-9
  • Cat. No. CS-0498745
  • Purity ≥98%
  • MDL No. MFCD09261217
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂N₂O₃
  • Molecular Weight 278.35
  • Synonym(s) 2(1H)-Isoquinolinecarboxylic acid, 7-amino-3,4-dihydro-6-methoxy-, 1,1-dimethylethyl ester
  • SMILES O=C(N1CC2=C(C=C(OC)C(N)=C2)CC1)OC(C)(C)C

Synthesis

  • Route1
    • Tert-butyl 6-methoxy-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0169762
      921224-62-6
    • ~%
    • tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0498745
      935534-31-9

    References

    • ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; VASUDEVAN, Anil; PENNING, Thomas Dale; CHEN, Huanming; LIANG, Bo; WANG, Shaohui; ZHAO, Zhongqiang; CHAI, Dikun; YANG, Leifu; GAO, Yingxiang Patent: WO2012/97682 A1, 2012 ; Location in patent: Page/Page column 135 ;
  • Route2

    References

    • ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; VASUDEVAN, Anil; PENNING, Thomas Dale; CHEN, Huanming; LIANG, Bo; WANG, Shaohui; ZHAO, Zhongqiang; CHAI, Dikun; YANG, Leifu; GAO, Yingxiang Patent: WO2012/97682 A1, 2012 ;
  • Route3

    References

    • ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; VASUDEVAN, Anil; PENNING, Thomas Dale; CHEN, Huanming; LIANG, Bo; WANG, Shaohui; ZHAO, Zhongqiang; CHAI, Dikun; YANG, Leifu; GAO, Yingxiang Patent: WO2012/97682 A1, 2012 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   64.79
  • LogP   2.5706
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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