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CS-W001157 4
Total: USD 88.00

Methyl 3-(4-cyanophenyl)propanoate

  • CAS No. 75567-85-0

  • Cat. No. CS-0227163
  • Purity≥98%
  • MDL No.MFCD19440756

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

Methyl 3-(4-cyanophenyl)propanoate|CS-0227163

Structure of 75567-85-0

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General Information

  • CAS No. 75567-85-0
  • Cat. No. CS-0227163
  • Purity ≥98%
  • MDL No. MFCD19440756
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) None
  • SMILES O=C(OC)CCC1=CC=C(C#N)C=C1

Synthesis

  • Route1
    • In-stock
      3-(4-Cyanophenyl)propanoic acid|CS-W008014
      42287-94-5
    • null|null
      18107-18-1
    • ~88%
    • In-stock
      Methyl 3-(4-cyanophenyl)propanoate|CS-0227163
      75567-85-0

    References

    • Almirall, S.A. Patent: EP2210890 A1, 2010 ; Location in patent: Page/Page column 33 ; EP 2210890 A1
  • Route2

    References

    • Ishitani, Osamu; Ihama, Mikio; Miyauchi, Yoji; Pac, Chyongjin Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1527 - 1532
  • Route3
    • null|null
      79-20-9
    • In-stock
      4-Cyanobenzyl Bromide|CS-W001931
      17201-43-3
    • ~40%
    • In-stock
      Methyl 3-(4-cyanophenyl)propanoate|CS-0227163
      75567-85-0

    References

    • Nishimoto, Yoshihiro; Inamoto, Yoshihiro; Saito, Takahiro; Yasuda, Makoto; Baba, Akio European Journal of Organic Chemistry, 2010 , # 18 p. 3382 - 3386

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.66388
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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