65538-23-0

Basic information

• Product Name: Benzoic acid, 2-methyl-4-(3-methylphenoxy)-
• CAS NO: 65538-23-0
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Mol File: 65538-23-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 2-methyl-4-(3-methylphenoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-methyl-4-(3-methylphenoxy)-(65538-23-0)
• EPA Substance Registry System: Benzoic acid, 2-methyl-4-(3-methylphenoxy)-(65538-23-0)

Safety Data

• Hazardous Substances Data: 65538-23-0(Hazardous Substances Data)

Upstream product

• 108-39-4 3-methyl-phenol 
• 147754-12-9 4-fluoro-2-methylbenzonitrile 

Downstream Products

• 1436378-68-5 N-[(1S)-1-{[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-methyl}-2-methylpropyl]-2-methyl-4-(3-methylphenoxy)benzamide 

Relevant articles and documents

1-substituted 4-arylpiperazine as kappa opioid receptor antagonists

Provided are compounds represented by the formula: where R, Y3, R1, R2, R3, R4, R6, G, R7, E1, E2, A, B, W, X, Y and Z are as defined herein.

Discovery of N-{4-[(3-hydroxyphenyl)-3-methylpiperazin-1-yl]methyl-2- methylpropyl}-4-phenoxybenzamide analogues as selective kappa opioid receptor antagonists

There is continuing interest in the discovery and development of new κ opioid receptor antagonists. We recently reported that N-substituted 3-methyl-4-(3-hydroxyphenyl)piperazines were a new class of opioid receptor antagonists. In this study, we report the syntheses of two piperazine JDTic-like analogues. Evaluation of the two compounds in an in vitro [35S] GTPγS binding assay showed that neither compound showed the high potency and κ opioid receptor selectivity of JDTic. A library of compounds using the core scaffold 21 was synthesized and tested for their ability to inhibit [35S]GTPγS binding stimulated by the selective κ opioid agonist U69,593. These studies led to N-[(1S)-1-{[(3S)-4-(3-hydroxyphenyl)-3- methylpiperazin-1-yl]methyl}-2-methylpropyl]-4-phenoxybenzamide (11a), a compound that showed good κ opioid receptor antagonist properties. An SAR study based on 11a provided 28 novel analogues. Evaluation of these 28 compounds in the [35S]GTPγS binding assay showed that several of the analogues were potent and selective κ opioid receptor antagonists.