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CS-W001157 4
Total: USD 88.00

Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride

  • CAS No. 76308-26-4

  • Cat. No. CS-0008597
  • Purity≥97%
  • MDL No.MFCD16660366

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

Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride|CS-0008597

Structure of 76308-26-4

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General Information

  • CAS No. 76308-26-4
  • Cat. No. CS-0008597
  • Purity ≥97%
  • MDL No. MFCD16660366
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₀ClNO₂
  • Molecular Weight 221.72
  • Synonym(s) trans-2-(4-Aminocyclohexyl)acetic Acid Ethyl Ester Hydrochloride
  • SMILES O=C(OCC)C[C@@H]1CC[C@@H](N)CC1.Cl

Description

Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride is a bench-stable, moisture-tolerant amine derivative featuring a rigid trans-cyclohexyl scaffold. This configuration enhances stereochemical control in synthetic applications, enabling efficient coupling reactions and facilitating incorporation into bioactive molecules requiring defined spatial orientation.

Application

Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride serves as a versatile building block for medicinal chemistry and process development, enabling direct access to functionalized cyclohexyl scaffolds. The trans-configured amine exhibits enhanced stability and predictable stereochemistry, facilitating efficient coupling reactions and derivatization. Its hydrochloride salt form improves solubility and handling, supporting robust performance in standard synthetic workflows including amidation, alkylation, and reductive amination.

Synthesis

  • Route1
    • null|null
      64-17-5
    • 4-Nitrobenzeneacetic acid Indobufen  Impurity|CS-0229459
      104-03-0
    • ~38%
    • In-stock
      Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride|CS-0008597
      76308-26-4

    References

    • RICHTER GEDEON NYRT.; MATHE, Tibor, Bence; HEGEDUS, Laszl; CZIBULA, Laszl; JUHASZ, Balint; NAGYNE BAGDY, Judit; MARKOS, Denes Patent: WO2010/70368 A1, 2010 ; Location in patent: Page/Page column 4 ;
  • Route2
    • null|null
      64-17-5
    • TRANS-2-(4-AMINOCYCLOHEXYL)ACETIC ACID HCL|CS-0039017
      76325-96-7
    • ~%
    • In-stock
      Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride|CS-0008597
      76308-26-4

    References

    • US2009/42943 A1, ; Page/Page column 10 ; US 20090042943 A1
  • Route3
    • Ethyl 2-(4-nitrophenyl)acetate|CS-W005171
      5445-26-1
    • ~%
    • In-stock
      Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride|CS-0008597
      76308-26-4

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 5 p. 760 - 771

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   52.32
  • LogP   1.8789
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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