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Benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

  • CAS No. 77497-96-2

  • Cat. No. CS-0455631
  • Molecule weight267.32
  • Purity≥98%
  • MDL No.None

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

Benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0455631

Structure of 77497-96-2

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General Information

  • CAS No. 77497-96-2
  • Cat. No. CS-0455631
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₇NO₂
  • Molecular Weight 267.32
  • Synonym(s) Benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
  • SMILES C1=CC=C(C=C1)COC(=O)[C@@H]2CC3=CC=CC=C3CN2

Synthesis

  • Route1
    • null|null
      77497-97-3
    • ~%
    • Benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0455631
      77497-96-2

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 31, # 1 p. 312 - 314
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 29, # 10 p. 1953 - 1961

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.4443
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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