100617-42-3

Basic information

• Product Name: [4-(cyclohexyloxy)phenyl]methanamine
• Synonyms: [4-(cyclohexyloxy)phenyl]methanamine;4-(cyclohexyloxy)benzenemethanamine;Benzenemethanamine, 4-(cyclohexyloxy)-
• CAS NO: 100617-42-3
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: 205.29606
• Mol File: 100617-42-3.mol

Chemical Properties

• Boiling Point: 130-140 °C(Press: 2 Torr)
• Appearance: /
• Density: 1.047±0.06 g/cm3(Predicted)
• PKA: 9.30±0.10(Predicted)
• CAS DataBase Reference: [4-(cyclohexyloxy)phenyl]methanamine(CAS DataBase Reference)
• NIST Chemistry Reference: [4-(cyclohexyloxy)phenyl]methanamine(100617-42-3)
• EPA Substance Registry System: [4-(cyclohexyloxy)phenyl]methanamine(100617-42-3)

Safety Data

• Hazardous Substances Data: 100617-42-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
[4-(cyclohexyloxy)phenyl]methanamine is used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into the structure of various organic compounds. Its unique structure allows for the development of new drugs and biologically active molecules, making it a valuable asset in medicinal chemistry.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, [4-(cyclohexyloxy)phenyl]methanamine is used as a building block for designing and creating novel drug candidates. Its cyclohexyloxy-substituted phenyl group can be exploited to enhance the pharmacological properties of the resulting compounds, potentially leading to more effective treatments for various diseases and conditions.
Used in Chemical Research:
As a versatile chemical compound, [4-(cyclohexyloxy)phenyl]methanamine can also be utilized in chemical research to explore new reactions and mechanisms. Its unique structure may provide insights into the behavior of similar compounds and contribute to the advancement of chemical knowledge and technology.
Overall, [4-(cyclohexyloxy)phenyl]methanamine is a promising chemical with potential applications in various industries, particularly in the fields of chemistry and medicine, where it can be used to develop new drugs, improve existing pharmaceuticals, and contribute to scientific research.

Upstream product

• 100608-94-4 4-cyclohexyloxy-benzoic acid amide 
• 270260-65-6 4-(cyclohexyloxy)benzonitrile 

Relevant articles and documents

Structure-activity relationships in the binding of chemically derivatized CD4 to gp120 from human immunodeficiency virus

The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.