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CS-W001157 4
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2-(tert-butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

  • CAS No. 499139-27-4

  • Cat. No. CS-0005321
  • Molecule weight307.34
  • Purity≥95%
  • MDL No.MFCD04114848

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

2-(tert-butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid|CS-0005321

Structure of 499139-27-4

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General Information

  • CAS No. 499139-27-4
  • Cat. No. CS-0005321
  • Purity ≥95%
  • MDL No. MFCD04114848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₁NO₅
  • Molecular Weight 307.34
  • Synonym(s) 6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
  • SMILES O=C(OC(C)(C)C)N1C(C(O)=O)C(C=CC(OC)=C2)=C2CC1

Synthesis

  • Route1
    • 2-(tert-Butyl) 1-methyl 6-methoxy-3,4-dihydroisoquinoline-1,2(1h)-dicarboxylate|CS-0666883
      531556-16-8
    • ~%
    • In-stock
      2-(tert-butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid|CS-0005321
      499139-27-4

    References

    • Bristol-Myers Squibb Co. Patent: US6649606 B1, 2003 ; Location in patent: Page/Page column 168 ; US 6649606 B1
  • Route2
    • 2-(tert-Butyl) 1-methyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1h)-dicarboxylate|CS-0663424
      350014-19-6
    • ~%
    • In-stock
      2-(tert-butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid|CS-0005321
      499139-27-4

    References

    • BRISTOL-MYERS SQUIBB COMPANY; ORWAT, Michael J.; PINTO, Donald J.P.; SMITH II, Leon M.; SRIVASTAVA, Shefali; CORTE, James R. Patent: WO2013/55984 A1, 2013 ;

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   76.07
  • LogP   2.6141
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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