56531-58-9

Basic information

• Product Name: 3-CARBOXYADAMANTANE-1-ACETIC ACID
• Synonyms: 3-CARBOXYADAMANTANE-1-ACETIC ACID;3-Carboxy-1-adamantaneacetic acid;3-Carboxy-tricyclo[3.3.1.1(3,7)]decane-1-acetic acid
• CAS NO: 56531-58-9
• Molecular Formula: C13H18O4
• Molecular Weight: 238.27962
• Product Categories: C13 to C42+;Carbonyl Compounds;Carboxylic Acids
• Mol File: 56531-58-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 91-95 °C
• Boiling Point: 438.7 °C at 760 mmHg
• Flash Point: 233.2 °C
• Appearance: /
• Density: 1.374±0.06 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-CARBOXYADAMANTANE-1-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CARBOXYADAMANTANE-1-ACETIC ACID(56531-58-9)
• EPA Substance Registry System: 3-CARBOXYADAMANTANE-1-ACETIC ACID(56531-58-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-52/53
• Safety Statements: 61
• WGK Germany: 3
• Hazardous Substances Data: 56531-58-9(Hazardous Substances Data)

Usage

General Description

3-Carboxyadamantane-1-acetic acid is a chemical compound with the molecular formula C12H18O4. It is a derivative of adamantane, a diamondoid hydrocarbon. This chemical has a carboxylic acid group and an acetic acid group attached to the adamantane structure. The compound has potential pharmaceutical applications due to its unique structure and properties. It is being studied for its potential use in drug delivery systems, as well as for its potential as an anti-inflammatory and antiviral agent. The compound's adamantane core provides stability and rigidity, which could be beneficial for drug formulation and design. Overall, 3-Carboxyadamantane-1-acetic acid is a versatile chemical with potential applications in pharmaceutical research and development.

InChI:InChI=1S/C13H18O4/c14-10(15)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)

Upstream product

• 64-18-6 formic acid 
• 75-35-4 1,1-Dichloroethylene 
• 768-95-6 1-adamanthanol 
• 17768-36-4 2-(3-hydroxyadamantan-1-yl)acetic acid 
• 4942-47-6 (adamant-1-yl)-acetic acid 
• 50795-82-9 3-nitroxyadamantane-1-carboxylic acid 

Downstream Products

• 1424323-34-1 N-benzyloxy-2-(3-hydroxymethyl-1-adamantyl)acetamide 
• 1424323-32-9 N-benzyloxy-2-(3-carboxy-1-adamantyl)acetamide 
• 17768-36-4 2-(3-hydroxyadamantan-1-yl)acetic acid 

Relevant articles and documents

Synthesis of polycarboxylic acids of adamantane series

Substituted 3-carboxymethyl-1-adamantanecarboxylic acids were obtained by the reaction of Koch-Haaf from the corresponding 1-adamantylacetic acids. A number of polycarboxylic acids was synthesized, containing carboxyl and carboxymethyl groups in their structure in various combinations.

Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: Synthesis, crystallography, modeling, kinetic and cellular based studies

Botulinum neurotoxins (BoNTs) are the most lethal biotoxins known to mankind and are responsible for the neuroparalytic disease botulism. Current treatments for botulinum poisoning are all protein based and thus have a limited window of treatment opportun

SYNTHESIS OF FUNCTIONAL DERIVATIVES OF TRICYCLIC HYDROCARBONS

The synthesis of carboxylic derivatives of the tricyclic hydrocarbons adamantane and trimethylenenorbornane by the treatment of the hydrocarbons with formic acid and vinylidene chloride in a mixture of sulfuric and nitric acid is described.