68435-07-4

Basic information

• Product Name: NIST68435-07-4
• Synonyms: NIST68435-07-4;Methyl 3-hydroxyadamantane-1-carboxylate;Methyl 3-hydroxy-1-adaMantanecarboxylate;3-Hydroxy-1-Methoxycarbonyl AdaMantane
• CAS NO: 68435-07-4
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.28
• Mol File: 68435-07-4.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 295℃
• Flash Point: 120℃
• Appearance: /
• Density: 1.285
• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.4675
• Storage Temp.: 2-8°C
• CAS DataBase Reference: NIST68435-07-4(CAS DataBase Reference)
• NIST Chemistry Reference: NIST68435-07-4(68435-07-4)
• EPA Substance Registry System: NIST68435-07-4(68435-07-4)

Safety Data

• Hazardous Substances Data: 68435-07-4(Hazardous Substances Data)

Usage

Description

NIST68435-07-4, also known as 2-(dimethylamino)ethanol, is a colorless liquid chemical compound with the molecular formula C4H11NO. It possesses a fishy odor and is widely utilized as a solvent, reagent, and additive across various industries and research applications. Due to its reactivity with strong oxidizing agents and potential incompatibilities with certain materials, it requires careful handling and use in well-ventilated areas with appropriate personal protective equipment to mitigate health hazards.

Uses

Used in Chemical Synthesis Industry:
NIST68435-07-4 is used as a solvent for facilitating various chemical reactions, enhancing the efficiency and selectivity of the processes involved. Its ability to dissolve a wide range of substances makes it a versatile component in the synthesis of different compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, NIST68435-07-4 serves as a reagent in the production of various medications. Its properties allow it to participate in the synthesis of active pharmaceutical ingredients, contributing to the development of new drugs and therapies.
Used in Cosmetics Industry:
NIST68435-07-4 is utilized as an additive in the formulation of cosmetics, where it can influence the solubility, stability, and performance of cosmetic products. Its presence can improve the texture, consistency, and effectiveness of these products.
Used in Research Applications:
In research settings, NIST68435-07-4 is employed as a reagent in various experimental procedures. Its chemical properties make it suitable for use in studies involving the synthesis of new compounds, the investigation of reaction mechanisms, and the development of novel materials.
Used in Industrial Processes:
NIST68435-07-4 is also used in industrial processes as an additive to improve the performance of products or to facilitate specific manufacturing steps. Its versatility allows it to be incorporated into a range of applications, from the production of coatings and adhesives to the manufacturing of cleaning agents and other chemical products.

InChI:InChI=1/C12H18O3/c1-15-10(13)11-3-8-2-9(4-11)6-12(14,5-8)7-11/h8-9,14H,2-7H2,1H3

Upstream product

• 186581-53-3 diazomethane 
• 828-51-3 1-Adamantanecarboxylic acid 
• 711-01-3 methyl adamantane-1-carboxylate 
• 67-56-1 methanol 
• 42711-75-1 3-hydroxyadamantane-1-carboxylic acid 
• 2094-72-6 1-Adamantanecarbonyl chloride 
• 74-88-4 methyl iodide 
• 84868-15-5 3-(p-Toluolsulfonyloxy)adamantan-1-carbonsaeuremethylester 

Downstream Products

• 214557-84-3 methyl 3,5,7-trifluoroadamantane-1-carboxylate 
• 214557-89-8 3,5,7-trifluoroadamantane-1-carboxylic acid 
• 106094-47-7 (3-fluoroadamantan-1-yl)methanol 
• 214557-78-5 benzyl (3-fluoroadamantan-1-yl)carbamate 
• 42711-75-1 3-hydroxyadamantane-1-carboxylic acid 

Relevant articles and documents

ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS

The present invention relates to adamantanyl-substituted benzamide compounds and their use as antagonists of the P2X7 purinoreceptor. The invention further relates to methods for the treatment of disease and conditions associated with the P2X7 purinoreceptor.

Pharmacological Evaluation of Novel Bioisosteres of an Adamantanyl Benzamide P2X7 Receptor Antagonist

Adamantanyl benzamide 1 was identified as a potent P2X7R antagonist but failed to progress further due to poor metabolic stability. We describe the synthesis and SAR of a series of bioisosteres of benzamide 1 to explore improvements in the pharmacological properties of this lead. Initial efforts investigated a series of heteroaromatic bioisosteres, which demonstrated improved physicochemical properties but reduced P2X7R antagonism. Installation of bioisosteric fluorine on the adamantane bridgeheads was well tolerated and led to a series of bioisosteres with improved physicochemical properties and metabolic stability. Trifluorinated benzamide 34 demonstrated optimal physicochemical parameters, superior metabolic stability (ten times longer than lead benzamide 1), and an improved physicokinetic profile and proved effective in the presence of several known P2X7R polymorphisms.

BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID AND CYCLIC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS

This invention is directed to benzamidine derivatives substituted by cyclic amino acid and cyclic hydroxy acid derivatives which are useful as anti-coagulants. This invention is also directed to pharmaceutical compositions containing the compounds of the invention, and methods of using the compounds to treat disease-states characterized by thrombotic activity.