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

General Description

NIST68435-07-4, also known as 2-(dimethylamino)ethanol, is a chemical compound with the molecular formula C4H11NO. It is a colorless liquid with a fishy odor, and is commonly used as a solvent, reagent, and additive in various industrial and research applications. This chemical is known to react with strong oxidizing agents and may be incompatible with materials such as acids, acid chlorides, acid anhydrides, and chloroformates. It is important to handle NIST68435-07-4 with care, as it may pose health hazards if ingested, inhaled, or comes into contact with the skin or eyes, and should only be used in a well-ventilated area and with appropriate personal protective equipment.

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

• 711-01-3 methyl adamantane-1-carboxylate 
• 67-56-1 methanol 
• 828-51-3 1-Adamantanecarboxylic acid 
• 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 
• 186581-53-3 diazomethane 

Downstream Products

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

POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME

A compound shown by the following formula: ???wherein each of R1a, R2a, R3aand R4arepresents a substituent selected from a non-reactive atom, a non-reactive group, a hydroxyl group and an amino group, and at least two members selected from R1a, R2a, R3aand R4aare a hydroxyl group, a carboxyl group or an amino group; is subjected to an esterification reaction or an amidation reaction with a polymerizable unsaturated compound (e.g., an alcohol, a carboxylic acid, an amine) in the presence of a catalyst comprising an element selected from the Group 3 elements, such as a samarium compound, to obtain a polymerizable adamantane derivative having at least one polymerizable unsaturated group in high yield.