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CS-W001157 4
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1-Benzylazetidine-3-carboxylicacid

  • CAS No. 94985-27-0

  • Cat. No. CS-0171339
  • Purity≥97%
  • MDL No.None

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

1-Benzylazetidine-3-carboxylicacid|CS-0171339

Structure of 94985-27-0

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General Information

  • CAS No. 94985-27-0
  • Cat. No. CS-0171339
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 1-Benzylazetidine-3-carboxylic acid
  • SMILES C1=CC=C(C=C1)CN2CC(C2)C(=O)O

Synthesis

  • Route1
    • N-Benzyl-3-cyanoazetidine|CS-0210832
      94985-26-9
    • ~82%
    • 1-Benzylazetidine-3-carboxylicacid|CS-0171339
      94985-27-0

    References

    • Shell Oil Company Patent: US4639334 A1, 1987 ;
  • Route2
    • (1-Benzylazetidin-3-yl)methanol|CS-0318947
      99025-94-2
    • ~%
    • 1-Benzylazetidine-3-carboxylicacid|CS-0171339
      94985-27-0

    References

    • US4778577 A1, ;
  • Route3
    • 1-Benzylazetidine-3,3-dicarboxylic acid|CS-0685364
      106014-87-3
    • ~%
    • 1-Benzylazetidine-3-carboxylicacid|CS-0171339
      94985-27-0

    References

    • Synthetic Communications, , vol. 33, # 19 p. 3347 - 3353

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   1.203
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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