1009736-58-6

Basic information

• Product Name: 1-methoxy-3,5-(dimethyl-D₆)-benzene
• Synonyms: 1-methoxy-3,5-(dimethyl-D₆)-benzene
• CAS NO: 1009736-58-6
• Molecular Weight: 142.146
• Mol File: 1009736-58-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1-methoxy-3,5-(dimethyl-D₆)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methoxy-3,5-(dimethyl-D₆)-benzene(1009736-58-6)
• EPA Substance Registry System: 1-methoxy-3,5-(dimethyl-D₆)-benzene(1009736-58-6)

Safety Data

• Hazardous Substances Data: 1009736-58-6(Hazardous Substances Data)

Upstream product

• 874-63-5 3,5-dimethylmethoxybenzene 
• 108-68-9 3,5-Dimethylphenol 

Downstream Products

• 1009736-59-7 1-bromo-4-methoxy-2,6-di(d3-methyl)benzene 
• 133604-75-8 3,5-(dimethyl-D₆)-phenol 
• 1407521-66-7 4-chloro-3,5-(dimethyl-D₆)-phenol 

Relevant articles and documents

DEUTERATED BENZOPYRAN COMPOUND AND APPLICATION THEREOF

features as shown in Formula (I), or pharmaceutically acceptable salts or stereoisomers thereof, or prodrug molecules thereof. With excellent anti-inflammatory and analgesic effects and the capability to inhibit growth of tumor cells, such compounds are novel COX-2 selective inhibitors. The compounds and pharmaceutically acceptable salts thereof disclosed by the present application can be applied in preparing anti-inflammatory and analgesic drugs and drugs for treating or preventing tumors.

Synthesis of deuterated benzopyran derivatives as selective COX-2 inhibitors with improved pharmacokinetic properties

We designed a series of specifically deuterated benzopyran analogues as new COX-2 inhibitors with the aim of improving their pharmacokinetic properties. As expected, the deuterated compounds retained potency and selectivity for COX-2. The new molecules possess improved pharmacokinetic profiles in rats compared to their nondeuterated congeners. Most importantly, the new compounds showed pharmacodynamic efficacy in several murine models of inflammation and pain. The benzopyran derivatives were separated into their enantiomers, and the activity was found to reside with the S-isomers. To streamline the synthesis of the desired S-isomers, an organocatalytic asymmetric domino oxa-Michael/aldol condensation reaction was developed for their preparation.

Steric isotope effects gauged by the bowl-inversion barrier in selectively deuterated pentaarylcorannulenes

Motivated by a greater bowl depth and barrier to bowl inversion in sym-1,3,5,7,9-pentamanisylcorannulene compared to corannulene, an experimental plan is developed to measure the effective hydrogen/deuterium steric kinetic isotope effect (KIE). Symmetry a