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CS-W001157 4
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(4-(2-(Azepan-1-yl)ethoxy)phenyl)methanol

  • CAS No. 223251-16-9

  • Cat. No. CS-0008535
  • Molecule weight249.35
  • Purity≥98%
  • MDL No.MFCD11046666

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

(4-(2-(Azepan-1-yl)ethoxy)phenyl)methanol|CS-0008535

Structure of 223251-16-9

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General Information

  • CAS No. 223251-16-9
  • Cat. No. CS-0008535
  • Purity ≥98%
  • MDL No. MFCD11046666
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₃NO₂
  • Molecular Weight 249.35
  • Synonym(s) {4-[2-(azepan-1-yl)ethoxy]phenyl}methanol
  • SMILES OCC(C=C1)=CC=C1OCCN2CCCCCC2

Synthesis

  • Route1
    • 4-(2-(Azepan-1-yl)ethoxy)benzaldehyde|CS-0464823
      223251-09-0
    • ~99%
    • (4-(2-(Azepan-1-yl)ethoxy)phenyl)methanol|CS-0008535
      223251-16-9

    References

    • Wyeth Patent: EP1212335 B1, 2006 ; Location in patent: Page/Page column 25 ; EP 1212335 B1
  • Route2

    References

    • DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC.; BANDICHHOR, Rakeshwar; LEKKALA, Amarnath Reddy; HALDAR, Pranab; MYLAVARAPU, Ravi Kumar; GOLLA, China Malakondaiah; VAGWALA, Raghunath; KARRI, Vijaya Kumar; AKULA, Swapna Patent: WO2011/22596 A2, 2011 ; Location in patent: Page/Page column 4; 22; 23 ;
  • Route3

    References

    • Yadav, Yogesh; MacLean, Erin D.; Bhattacharyya, Annyt; Parmar, Virinder S.; Balzarini, Jan; Barden, Christopher J.; Too, Catherine K.L.; Jha, Amitabh European Journal of Medicinal Chemistry, 2011 , vol. 46, # 9 p. 3858 - 3866

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   32.7
  • LogP   2.4337
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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