51439-85-1

Basic information

• Product Name: 2-(3,4-DIMETHOXYBENZOYL)BENZOIC ACID
• Synonyms: AKOS BBS-00000776;2-(3,4-DIMETHOXYBENZOYL)BENZOIC ACID
• CAS NO: 51439-85-1
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28
• Mol File: 51439-85-1.mol
• Article Data: 10

Chemical Properties

• Melting Point: 208-290 °C
• Boiling Point: 507.3±50.0 °C(Predicted)
• Appearance: /
• Density: 1 +-.0.06 g/cm3(Predicted)
• PKA: 3.39±0.36(Predicted)
• CAS DataBase Reference: 2-(3,4-DIMETHOXYBENZOYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3,4-DIMETHOXYBENZOYL)BENZOIC ACID(51439-85-1)
• EPA Substance Registry System: 2-(3,4-DIMETHOXYBENZOYL)BENZOIC ACID(51439-85-1)

Safety Data

• Hazardous Substances Data: 51439-85-1(Hazardous Substances Data)

Usage

Derivative of benzoic acid

2-(3,4-Dimethoxybenzoyl)benzoic acid is a modified version of benzoic acid.

Physical properties

White crystalline solid, melting point of around 169-171°C.

Industrial uses

Commonly used in the synthesis of various pharmaceuticals and organic compounds.

Applications

Primarily used as an intermediate in the production of dyes, pigments, and pharmaceuticals. Has potential applications in the field of materials science and organic synthesis.

Upstream product

• 85-44-9 phthalic anhydride 
• 91-16-7 1,2-dimethoxybenzene 
• 37618-00-1 3-(3,4-dimethoxyphenyl)isobenzofuran-1(3H)-one 
• 119-67-5 o-carboxybenzaldehyde 
• 75-15-0 carbon disulfide 
• 7446-70-0 aluminium trichloride 

Downstream Products

• 483-35-2 hystazarin 
• 72-48-0 1,2-dihydroxy-9,10-anthracenedione 
• 22506-55-4 2,3-dimethoxy-anthraquinone 
• 93435-26-8 2-(3,4-dimethoxybenzyl)benzoic acid 
• 860562-93-2 2-(4,5-dimethoxy-2-nitro-benzoyl)-benzoic acid 
• 137382-40-2 4-(3,4-dimethoxyphenyl)-2-phenyl-2H-phthalazin-1-one 
• 114639-49-5 methyl 2-(3,4-dimethoxybenzyl)benzoate 
• 109501-47-5 [2-(3,4-dimethoxylbenzyl)phenyl]methanol 

Relevant articles and documents

Mechanochemical Friedel-crafts acylations

Friedel-Crafts (FC) acylation reactions were exploited in the preparation of ketone-functionalized aromatics. Environmentally more friendly, solvent-free mechanochemical reaction conditions of this industrially important reaction were developed. Reaction parameters such as FC catalyst, time, ratio of reagents and milling support were studied to establish the optimal reaction conditions. The scope of the reaction was explored by employment of different aromatic hydrocarbons in conjunction with anhydrides and acylation reagents. It was shown that certain FC-reactive aromatics could be effectively functionalized by FC acylations carried out under ball-milling conditions without the presence of a solvent. The reaction mechanism was studied by in situ Raman and ex situ IR spectroscopy.

Synthesis of tetrafunctionalized pentiptycenequinones for construction of cyclic dimers with a cylindrical shape by boronate ester formation

Abstract New tetrasubstituted pentiptycenequinone derivatives 1 and 2 having two sets of diol moieties in a syn orientation were synthesized from the corresponding 2,3-disubstituted anthracene derivatives. The semicircular scaffold of these molecules is expected to be useful to create a belt-like structure having an aromatic π-wall. Indeed, the reaction of 1 with 1,4-phenylenediboronic acid or 4,4′-biphenyldiboronic acid quantitatively gave a 2:2 macrocyclic product via boronate ester formation. The efficient formation of these cyclic structures can be explained by favorable intramolecular cyclization at the final step.

Synthesis, assembly, and thin film transistors of dihydrodiazapentacene: An isostructural motif for pentacene

The study below details the synthesis, assembly, and thin film transistors from dihydrodiazapentacenes. These molecules have the same molecular shape as pentacene but are much easier to prepare and have much greater environmental stability. Thin films made from the dihydrodiazapentacene behave as field effect transistors with mobilities and on/off ratios high enough to be useful in certain applications. X-ray diffraction and AFM experiments on these films show that the molecules stack in layers with their long axis upright from the surface. Some of the derivatives synthesized for this study have unexpectedly high solubility in polar solvents such as DMF and DMSO. The crystal structure from DMF reveals self-assembled channels with each of the aniline functionalities forming a hydrogen bond with solvent. In more nonpolar solvents, the solid-state assembly switches to a herringbone motif characteristic of the linear acenes.