18672-76-9

Basic information

• Product Name: 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
• Synonyms: 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
• CAS NO: 18672-76-9
• Molecular Formula: C₁₁H₂₁NO₂
• Molecular Weight: 199.29
• Product Categories: pharmacetical
• Mol File: 18672-76-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 308.3°Cat760mmHg
• Flash Point: 140.3°C
• Appearance: /
• Density: 1.043g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(18672-76-9)
• EPA Substance Registry System: 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(18672-76-9)

Safety Data

• Hazardous Substances Data: 18672-76-9(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

It is a derivative of a cyclic amino acid, specifically cyclohexanecarboxylic acid, which has a ring structure.

Explanation

The compound's structure includes a tert-butyl group (a carbon atom bonded to three methyl groups) and an amino group (a nitrogen atom bonded to two hydrogen atoms and one carbon atom) attached to the cyclohexane ring.

Explanation

The compound is utilized in the synthesis of various organic compounds, which can be further used in the production of pharmaceuticals and other chemical substances.

Explanation

As an intermediate, it plays a crucial role in the synthesis of pharmaceuticals and other chemical products, acting as a starting material or a building block in the process.

Explanation

Due to its unique structure and properties, 1-AMINO-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID has the potential to be used in the development of new drugs and contribute to advancements in medicinal chemistry.

Type of Compound

Cyclic amino acid derivative

Structure

Contains a tert-butyl group and an amino group attached to the cyclohexane ring

Application

Used in organic synthesis

Role

Key intermediate in the production of pharmaceuticals and other chemical substances

Potential Applications

Development of new drugs and medicinal chemistry

InChI:InChI=1/C11H21NO2/c1-10(2,3)8-4-6-11(12,7-5-8)9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)

Upstream product

• 98-53-3 4-tercbutyl-cyclohexanone 
• 93042-05-8 8-tert-butyl-1,3-diaza-spiro[4.5]decane-2,4-dione 

Downstream Products

• 199330-72-8 1-tert-Butoxycarbonylamino-4-tert-butyl-cyclohexanecarboxylic acid 
• 199330-73-9 1-[(1-tert-Butoxycarbonylamino-4-tert-butyl-cyclohexanecarbonyl)-amino]-4-tert-butyl-cyclohexanecarboxylic acid methyl ester 

Relevant articles and documents

Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity

Peptides cyclized via disulfide or lactam bridges having melanocortin-4 receptor (MC4-R) agonist activity useful for treatment of obesity.

Hydrogen-bonded tapes based on symmetrically substituted diketopiperazines: A robust structural motif for the engineering of molecular solids

A series of eight symmetrically substituted diketopiperazines (DKPs) derived from 1-amino-1-carboxycycloalkanes (n = 3-7; 3,3,5,5-tetramethylcyclohexane; 4,4-dimethylcyclohexane; 2-indan) were synthesized and their crystal structures determined. In the solid state, all eight compounds form two pairs of hydrogen bonds with two adjacent molecules to form a one-dimensional structure that we refer to as 'tapes'. These molecules represent a range of volumes and shapes that contain a common molecular fragment (DKP ring). We examined this series of compounds with three objectives in mind: (i) to establish the ability of the hydrogen-bonded 'tape' motif to persist through these differences in volume and shape; (ii) to provide a series of structurally related compounds to use to test computational methods of predicting crystal structure from molecular structure; (iii) to search for qualitative correlations between molecular structure and crystal packing. All compounds form tapes and with one exception, all tapes pack with their long axes parallel. When viewed down their long axis, two types of tapes emerge: planar and nonplanar. The type of tape that forms reflects the conformation adapted by the DKP ring-planar or boat. Planar tapes form when the angle (α) between the two planes defined by the cis-amides in the DKP ring is 180°; nonplanar tapes form when α 180°. Five of the eight compounds studied form planar tapes, the remaining three compounds form nonplanar tapes. Despite the variability in volume and shape represented by this series of molecules, the persistence of the tape motif in their crystalline solids suggests that the hydrogen-bonding interactions between parallel alignment of tapes that pack in a manner that permits the interdigitation of substituents on adjacent tapes.