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CS-W001157 4
Total: USD 88.00

Methyl 1-aminocyclohexane-1-carboxylate

  • CAS No. 4507-57-7

  • Cat. No. CS-0049254
  • Purity≥98%
  • MDL No.MFCD08686793

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

Methyl 1-aminocyclohexane-1-carboxylate|CS-0049254

Structure of 4507-57-7

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General Information

  • CAS No. 4507-57-7
  • Cat. No. CS-0049254
  • Purity ≥98%
  • MDL No. MFCD08686793
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅NO₂
  • Molecular Weight 157.21
  • Synonym(s) Methyl-1-aminocyclohexane carboxylate
  • SMILES COC(C1(N)CCCCC1)=O

Description

Methyl 1-aminocyclohexane-1-carboxylate features a rigid cyclohexane scaffold with a strategically positioned amino group and ester functionality. This configuration enables direct incorporation into peptide-like architectures, serving as a conformationally constrained building block for bioactive molecule synthesis under standard conditions.

Application

Methyl 1-aminocyclohexane-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to cyclohexyl-containing scaffolds. The protected amine and ester functionalities offer orthogonal reactivity for selective transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate reliable use in multi-step syntheses of bioactive molecules and API intermediates.

Synthesis

  • Route1
    • In-stock
      1-Amino-1-cyclohexanecarboxylic acid|CS-W016418
      2756-85-6
    • null|null
      18107-18-1
    • ~53%
    • In-stock
      Methyl 1-aminocyclohexane-1-carboxylate|CS-0049254
      4507-57-7

    References

    • MITSUBISHI TANABE PHARMA CORPORATION Patent: WO2008/4698 A2, 2008 ; Location in patent: Page/Page column 130 ;
  • Route2
    • null|null
      67-56-1
    • In-stock
      1-Amino-1-cyclohexanecarboxylic acid|CS-W016418
      2756-85-6
    • ~88%
    • In-stock
      Methyl 1-aminocyclohexane-1-carboxylate|CS-0049254
      4507-57-7

    References

    • Hayashi, Shigeo; Nakata, Eriko; Morita, Asato; Mizuno, Kunihiko; Yamamura, Kenzo; Kato, Aki; Ohashi, Katsuyo Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 21 p. 7675 - 7699
  • Route3

    References

    • Aventis Pharma Deutschland GmbH Patent: US6399643 B1, 2002 ;

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   0.821
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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