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CS-W001157 4
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(1r,4r)-Ethyl 4-aminocyclohexanecarboxylate

  • CAS No. 1678-68-8

  • Cat. No. CS-0129841
  • Purity≥95%
  • MDL No.MFCD01333991

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

(1r,4r)-Ethyl 4-aminocyclohexanecarboxylate|CS-0129841

Structure of 1678-68-8

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General Information

  • CAS No. 1678-68-8
  • Cat. No. CS-0129841
  • Purity ≥95%
  • MDL No. MFCD01333991
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₇NO₂
  • Molecular Weight 171.24
  • Synonym(s) TRANS-4-AMINOCYCLOHEXANE CARBOXYLIC ACID ETHYL ESTER
  • SMILES O=C([C@@H]1CC[C@@H](N)CC1)OCC

Description

trans-Ethyl 4-aminocyclohexanecarboxylate features a rigid, conformationally stable cyclohexane core with a trans-configured amine and ester group. This stereochemical precision enhances its utility as a chiral building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds without epimerization risk under standard conditions.

Application

trans-Ethyl 4-aminocyclohexanecarboxylate serves as a versatile chiral building block for medicinal chemistry and asymmetric synthesis. Its stable trans-configuration enables predictable stereochemical outcomes in downstream transformations. The pendant amine and ester functionalities offer orthogonal reactivity, facilitating derivatization via amidation, alkylation, or reduction. Bench-stable and readily purified by column chromatography, it functions efficiently in coupling reactions and heterocycle formation.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.067
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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