160582-66-1

Basic information

• Product Name: 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene
• Synonyms: 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene
• CAS NO: 160582-66-1
• Molecular Weight: 291.734
• Mol File: 160582-66-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene(160582-66-1)
• EPA Substance Registry System: 2-benzyloxy-3-chloro-4,5-dimethyl-1-nitrobenzene(160582-66-1)

Safety Data

• Hazardous Substances Data: 160582-66-1(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 160582-65-0 2-chloro-3,4-dimethyl-6-nitrophenol 
• 75-09-2 dichloromethane 
• 584-08-7 potassium carbonate 
• 18087-10-0 4,5-dimethyl-2-nitrophenol 
• 95-65-8 3,4-Dimethylphenol 

Downstream Products

• 160582-52-5 7-benzyloxy-6-chloro-4,5-dimethylisatin 
• 253268-21-2 2'-benzyloxy-3'-chloro-4',5'-dimethylisonitrosoacetanilide 
• 160582-53-6 3-benzyloxy-4-chloro-5,6-dimethylanthranilic acid 
• 160582-67-2 2-benzyloxy-3-chloro-4,5-dimethylaniline 

Relevant articles and documents

Synthesis and QSAR of substituted 3-hydroxyanthranilic acid derivatives as inhibitors of 3-hydroxyanthranilic acid dioxygenase (3-HAO)

Novel 4,5-, 4,6-disubstituted and 4,5,6-trisubstituted 3- hydroxyanthranilic acid derivatives were synthesized and their ability to reduce the production of the excitotoxin quinolinic acid (QUIN) by inhibition of brain 3-hydroxyanthranilic acid dioxygenase (3-HAO) was subsequently investigated. The potency of the compounds to inhibit 3-HAO was assayed in rat brain homogenate, while chemical stability of certain compounds was studied by HPLC. The data were used to generate quantitative structure- activity relationship (QSAR) models for potency of 3-HAO inhibition and compound stability. Compounds with longer half-lives were obtained when the difference between the HOMO and LUMO was increased, while electron withdrawing groups in the 4- and 5-positions increased the potency of 3-HAO inhibition. Selected compounds that showed high potency in vitro were also found to be efficacious inhibitors in vivo after cerebral administration in rats.