156727-76-3

Basic information

• Product Name: 4-(3-METHOXYBENZOYL)BENZOIC ACID
• Synonyms: 4-(3-METHOXYBENZOYL)BENZOIC ACID
• CAS NO: 156727-76-3
• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.25
• Product Categories: Aromatics
• Mol File: 156727-76-3.mol

Chemical Properties

• Melting Point: 168-170°C
• Boiling Point: 463.0±30.0 °C(Predicted)
• Appearance: /
• Density: 1 +-.0.06 g/cm3(Predicted)
• Solubility: Dichloromethane, Methanol
• PKA: 3.72±0.10(Predicted)
• CAS DataBase Reference: 4-(3-METHOXYBENZOYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-METHOXYBENZOYL)BENZOIC ACID(156727-76-3)
• EPA Substance Registry System: 4-(3-METHOXYBENZOYL)BENZOIC ACID(156727-76-3)

Safety Data

• Hazardous Substances Data: 156727-76-3(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-(3-METHOXYBENZOYL)BENZOIC ACID is used as a synthetic intermediate for the development of various organic compounds. Its unique chemical structure, featuring a methoxybenzoyl group attached to a benzoic acid backbone, allows it to participate in a range of chemical reactions, facilitating the synthesis of diverse molecules with potential applications in pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(3-METHOXYBENZOYL)BENZOIC ACID is used as a key component in the synthesis of drug candidates. Its versatile chemical properties enable the creation of novel therapeutic agents with potential applications in treating various diseases and medical conditions. The compound's ability to form a variety of derivatives makes it a valuable asset in the ongoing search for new and effective medications.
Used in Agrochemical Industry:
4-(3-METHOXYBENZOYL)BENZOIC ACID also finds application in the agrochemical industry, where it is utilized in the synthesis of active ingredients for pesticides, herbicides, and other crop protection products. Its chemical versatility allows for the development of new compounds with improved efficacy, selectivity, and environmental compatibility, contributing to more sustainable agricultural practices.
Used in Specialty Chemicals:
In the specialty chemicals sector, 4-(3-METHOXYBENZOYL)BENZOIC ACID is employed as a building block for the production of various high-value chemicals with specific applications. These may include dyes, pigments, fragrances, and additives for the plastics and coatings industries, among others. The compound's unique structure and reactivity make it an essential component in the development of innovative and high-performing specialty chemicals.

Upstream product

• 82520-37-4 (4-methylphenyl)-(3-methoxyphenyl)methanone 
• 1711-05-3 m-anisoyl chloride 
• 108-88-3 toluene 

Downstream Products

• 1027905-05-0 4-(3-Methoxy-benzoyl)-benzoyl chloride 
• 189100-69-4 (3-methoxyphenyl)-[4-(pyrrolidine-1-carbonyl)phenyl]methanone 
• 1025805-51-9 (3-methoxyphenyl)-[4-(piperidine-1-carbonyl)phenyl]methanone 
• 1026227-78-0 [4-(Azepane-1-carbonyl)-phenyl]-(3-methoxy-phenyl)-methanone 
• 192520-95-9 4-(3-methoxybenzoyl)-N-ethyl-N-methylbenzamide 
• 1026011-61-9 N-Butyl-N-ethyl-4-(3-methoxy-benzoyl)-benzamide 
• 192520-96-0 4-(3-methoxybenzoyl)-N,N-dimethylbenzamide 
• 1027243-06-6 N-Ethyl-4-(3-methoxy-benzoyl)-benzamide 
• 1025912-42-8 N-tert-Butyl-4-(3-methoxy-benzoyl)-benzamide 
• 1027208-35-0 N-(1-Ethyl-propyl)-4-(3-methoxy-benzoyl)-benzamide 
• 1026656-40-5 N,N-Dibutyl-4-[hydroxy-(3-methoxy-phenyl)-methyl]-benzamide 
• 192521-08-7 N,N-Dibutyl-4-[chloro-(3-methoxy-phenyl)-methyl]-benzamide 

Relevant articles and documents

PHARMACEUTICAL COMPOUNDS

Diazapolycyclic compounds having affinity for the opioidergic receptors, preferably for the delta opioidergic receptors, with central and/or peripheral activity, having formula: [in-line-formulae]A1-D1-T1??(I)[/in-line-formulae] wherein: A1 is a group of formula (II): wherein: R1 is phenyl wherein one of the ring hydrogen atoms is substituted with a group selected from C(O)R′, C(O)OR′, C(O)NHR′ or C(O)NR3R4, R′, R3 and R4, being as defined in the application; R2 is phenyl, optionally substituted D1 is a diazapolycyclic group T1 is a group selected from H, alkyl, alkenyl, alkynyl and from the following optionally substituted groups: cycloalkyl, heterocycloalkyl, aryl, heteroaryl, cycloalkylalkyl, heterocycloalkylalkyl, arylalkyl or heteroarylalkyl, and their hydrates and solvates and pharmaceutically acceptable salts.

Diazacyclic compounds having affinity for opioid receptors

Diazapolycyclic compounds having affinity for the opioidergic receptors, preferably for the delta opioidergic receptors, with central and/or peripheral activity, having formula: ???????? A1-D1-T1?????(I) wherein: - A1 is a group of formula (II): wherein: R1 is phenyl wherein one of the ring hydrogen atoms is substituted with a group selected from C(O)R', C(O)OR', C(O)NHR' or C(O)NR3R4, R', R3 and R4, being as defined in the application; R2 is phenyl, optionally substituted - D1 is a diazapolycyclic group - T1 is a group selected from H, alkyl, alkenyl, alkynyl and from the following optionally substituted groups: cycloalkyl, heterocycloalkyl, aryl, heteroaryl, cycloalkylalkyl, heterocycloalkylalkyl, arylalkyl or heteroarylalkyl, and their hydrates and solvates and pharmaceutically acceptable salts.

Probes for narcotic receptor mediated phenomena. 23. Synthesis, opioid receptor binding, and bioassay of the highly selective δ agonist (+)-4- [(αR)-α-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]N,N- diethylbenzamide (SNC 80) and related novel nonpeptide δ opioid receptor ligands

The highly selective delta (δ) opioid receptor agonist SNC 80 [(+)-4- [(αR)-α-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N- diethylbenzamide, (+)-21] and novel optically pure derivatives were synthesized from the enantiomers of 1-allyl-trans-2,5-dimethylpiperazine (2). The piperazine (±)-2 was synthesized, and its enantiomers were obtained on a multigram scale in >99% optical purity by optical resolution of the racemate with the camphoric acids. The absolute configuration of (+)-2 was determined to be 2S,5R by X-ray analysis of the salt with (+)-camphoric acid. Since the chirality of the starting material was known, and the relative configuration of compounds (-)-21, (-)-22, and (+)-23 were obtained by single-crystal X- ray analysis, the assignment of the absolute stereochemistry of the entire series could be made. Radioreceptor binding studies in rat brain preparations showed that methyl ethers (+)-21 (SNC 80) and (-)-25 exhibited strong selectivity for rat δ receptors with low nanomolar affinity to 6 receptors and only micromolar affinity for rat mu (μ) opioid receptors. Compounds (- )-21, (-)-22, and (-)-23 showed micromolar affinities for δ opioid receptors. The unsubstituted derivative (+)-22 and the fluorinated derivative (-)-27 showed >2659- and >2105-fold δ/μ binding selectivity, respectively. The latter derivatives are the most selective ligands described in the new series. Studies with some of the compounds described in the isolated mouse vas deferens and guinea pig ileum bioassays revealed that all were agonists with different degrees of selectivity for the δ opioid receptor. These data show that (+)-21 and (+)-22 are potent δ receptor agonists and suggest that these compounds will be valuable tools for further study of the δ opioid receptor at the molecular level, including its function and role in analgesia and drug abuse.