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1-Adamantanecarboxylic acid

Base Information
  • Chemical Name:1-Adamantanecarboxylic acid
  • CAS No.:828-51-3
  • Molecular Formula:C11H16O2
  • Molecular Weight:180.247
  • Hs Code.:29162000
  • European Community (EC) Number:212-584-6
  • NSC Number:94182
  • DSSTox Substance ID:DTXSID40870784
  • Nikkaji Number:J108B
  • Wikipedia:1-Adamantanecarboxylic_acid
  • Wikidata:Q69758010
  • ChEMBL ID:CHEMBL170568
  • Mol file:828-51-3.mol
1-Adamantanecarboxylic acid

Synonyms:1-adamantanecarboxylic acid;adamantanecarboxylate;adamantanecarboxylic acid

Suppliers and Price of 1-Adamantanecarboxylic acid
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • AdamantoicAcid
  • 250 g
  • $ 130.00
  • TCI Chemical
  • 1-Adamantanecarboxylic Acid >98.0%(GC)(T)
  • 500g
  • $ 279.00
  • TCI Chemical
  • 1-Adamantanecarboxylic Acid >98.0%(GC)(T)
  • 25g
  • $ 19.00
  • TCI Chemical
  • 1-Adamantanecarboxylic Acid >98.0%(GC)(T)
  • 100g
  • $ 56.00
  • SynQuest Laboratories
  • Adamantane-1-carboxylic acid 99%
  • 100 g
  • $ 45.00
  • SynQuest Laboratories
  • Adamantane-1-carboxylic acid 99%
  • 25 g
  • $ 20.00
  • SynQuest Laboratories
  • Adamantane-1-carboxylic acid 99%
  • 500 g
  • $ 165.00
  • Sigma-Aldrich
  • 1-Adamantanecarboxylic acid 99%
  • 100g
  • $ 138.00
  • Sigma-Aldrich
  • 1-Adamantanecarboxylic acid 99%
  • 25g
  • $ 58.70
  • Oakwood
  • Adamantane-1-carboxylicacid 95%
  • 25g
  • $ 15.00
Total 168 raw suppliers
Chemical Property of 1-Adamantanecarboxylic acid
Chemical Property:
  • Appearance/Colour:white to off-white crystalline powder 
  • Vapor Pressure:0.000197mmHg at 25°C 
  • Melting Point:172-176 °C 
  • Refractive Index:1.4910 (estimate) 
  • Boiling Point:304.708 °C at 760 mmHg 
  • PKA:4.86±0.20(Predicted) 
  • Flash Point:142.042 °C 
  • PSA:37.30000 
  • Density:1.231 g/cm3 
  • LogP:2.28740 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:Chloroform, Methanol (Slightly) 
  • Water Solubility.:Insoluble in water. Solubility in methanol gives very faint turbidity. Soluble in ethanol, chloroform, and dichloromethane. 
  • XLogP3:2.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:1
  • Exact Mass:180.115029749
  • Heavy Atom Count:13
  • Complexity:216
Purity/Quality:

98.5% *data from raw suppliers

AdamantoicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
  • Statements: 36/37/38 
  • Safety Statements: 22-24/25-36-26 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Other Classes -> Organic Acids
  • Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C(=O)O
  • Uses Adamantoic Acid is an inhibitor of chorismate mutase activity and hydroxyphenylpyruvate synthase. It inhibits TTR conformational changes facilitating amyloid fibril formation. It can be used as a stabilizer in the synthesis of monodisperse, highly crystalline CoPt3 nanoparticles1 and porous platinum nanoparticles. It is a potent and reversible CerK inhibitor. 1-Adamantanecarboxylic acid can be used as: A stabilizer in the synthesis of monodisperse, highly crystalline CoPt3?nanoparticles and porous platinum nanoparticles.An additive in polycondensation reactions to yield conjugated polymers as possible optoelectronic materials.An additive in the allylic substitution reaction, which is catalyzed by palladium in an aqueous medium.
Technology Process of 1-Adamantanecarboxylic acid

There total 93 articles about 1-Adamantanecarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With 18-crown-6 ether; tert-butylamine; In tetrahydrofuran; at 46 ℃; further reagent;
DOI:10.1039/P19810001501
Refernces

N-ACYL DERIVATIVES OF D,L-ASPARTIC ACID: SYNTHESIS, PSYCHOTROPIC PROPERTIES, AND EFECT ON BINDING OF 3H-GLUTAMATE TO BRAIN MEMBRANES

10.1007/BF00766246

The research investigates the psychotropic properties and acute toxicity of N-acyl derivatives of D,L-aspartic acid, as well as their impact on the binding of 3H-glutamate to rat brain membranes. The purpose of the study was to enhance the blood-brain barrier permeability and psychoactivity of aspartic acid by synthesizing its N-acyl derivatives, which are less polar and more lipophilic. The researchers synthesized derivatives with various R groups, including butyric, benzoic, and adamantane carboxylic acids, and evaluated their effects on animal behavior, antidepressant activity, antiamnestic action, and acute toxicity. The conclusions drawn from the study indicated that the introduction of an N-acyl group into the aspartic acid molecule significantly altered its psychotropic properties, with compounds II-IV showing psychostimulant and antidepressant effects at low to moderate doses.

Fluorodecarboxylation, rearrangement and cyclisation: the influence of structure and environment on the reactions of carboxylic acids with xenon difluoride

10.1016/j.tetlet.2009.02.090

The study investigates the reactions of various carboxylic acids with xenon difluoride (XeF2) in different reaction environments, specifically in CH2Cl2/Pyrex and CH2Cl2/PTFE. The researchers found that Pyrex acts as an effective heterogeneous catalyst, promoting electrophilic reactions that lead to rearrangement, cyclisation, and cationic products. In contrast, reactions in PTFE primarily result in fluorodecarboxylation, likely via a single electron transfer (SET) mechanism. The study examines six structurally diverse carboxylic acids and shows that the products vary significantly depending on the reaction environment. For instance, in Pyrex, the reaction of 1-adamantanecarboxylic acid with XeF2 yields 1-adamantanol, while in PTFE, it produces 1-fluoroadamantane. The study highlights the profound influence of the reaction vessel material on the mechanism and products of these reactions, providing insights into the formation of intermediate fluoroxenon esters and their subsequent transformations.

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