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Methyl 3-(3-aminophenyl)propanoate

  • CAS No. 35418-08-7

  • Cat. No. CS-0179591
  • Purity≥98%
  • MDL No.MFCD17170002

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

Methyl 3-(3-aminophenyl)propanoate|CS-0179591

Structure of 35418-08-7

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General Information

  • CAS No. 35418-08-7
  • Cat. No. CS-0179591
  • Purity ≥98%
  • MDL No. MFCD17170002
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 3-(3-Amino-phenyl)-propionic acid methyl ester
  • SMILES O=C(OC)CCC1=CC=CC(N)=C1

Synthesis

  • Route1

    References

    • PHARMAGENE LABORATORIES LIMITED Patent: WO2005/80367 A1, 2005 ; Location in patent: Page/Page column 64; 116-117 ;
  • Route2

    References

    • Suzuki, Masaaki; Koyano, Hiroshi; Noyori, Ryoji; Hashimoto, Hitoshi; Negishi, Manabu; Ichikawa, Atsushi; Ito, Seiji Tetrahedron, 1992 , vol. 48, # 13 p. 2635 - 2658
  • Route3

    References

    • Flynn, Daniel L.; Petillo, Peter A. Patent: US2005/288286 A1, 2005 ; Title/Abstract Full Text Show Details Deciphera Pharmaceuticals, LLC Patent: US7666895 B2, 2010 ;

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-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.3744
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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