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CS-W001157 4
Total: USD 88.00

(R)-4-(1-Hydroxyethyl)benzonitrile

  • CAS No. 101219-69-6

  • Cat. No. CS-0102856
  • Purity≥95%
  • MDL No.None

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

(R)-4-(1-Hydroxyethyl)benzonitrile|CS-0102856

Structure of 101219-69-6

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General Information

  • CAS No. 101219-69-6
  • Cat. No. CS-0102856
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) Benzonitrile, 4-[(1R)-1-hydroxyethyl]- (9CI)
  • SMILES N#CC1=CC=C([C@H](O)C)C=C1

Synthesis

  • Route1
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~99%
    • In-stock
      (R)-4-(1-Hydroxyethyl)benzonitrile|CS-0102856
      101219-69-6

    References

    • MERCK SERONO S.A.; BOMBRUN, Agnes; QUATTROPANI, Anna; GONZALEZ, Jerome; DORBAIS, Jerome; KNIGHT, Chris; BAKER-GLENN, Charles Patent: WO2012/4287 A1, 2012 ; Location in patent: Page/Page column 116 ; WO 2012/004287 A1
  • Route2
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~69%
    • 1-[4-(aminomethyl)phenyl]ethan-1-ol|CS-0249614
      214759-42-9
    • In-stock
      (R)-4-(1-Hydroxyethyl)benzonitrile|CS-0102856
      101219-69-6

    References

    • Tetrahedron, , vol. 70, # 12 p. 2088 - 2095
  • Route3
    • In-stock
      4-Ethylbenzonitrile|CS-0152514
      25309-65-3
    • ~%
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • In-stock
      (R)-4-(1-Hydroxyethyl)benzonitrile|CS-0102856
      101219-69-6

    References

    • Tetrahedron Letters, , vol. 47, # 11 p. 1763 - 1766

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   1.61158
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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