15012-36-9

Basic information

• Product Name: Methyl 2,3-dimethylbenzoate-
• Synonyms: 2,3-DiMethoxyMethylbenzoate
• CAS NO: 15012-36-9
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.21
• Mol File: 15012-36-9.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 233.9°Cat760mmHg
• Flash Point: 101.4°C
• Appearance: /
• Density: 1.027g/cm³
• Vapor Pressure: 0.0544mmHg at 25°C
• Refractive Index: 1.508
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Methyl 2,3-dimethylbenzoate-(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2,3-dimethylbenzoate-(15012-36-9)
• EPA Substance Registry System: Methyl 2,3-dimethylbenzoate-(15012-36-9)

Safety Data

• Hazardous Substances Data: 15012-36-9(Hazardous Substances Data)

Usage

Description

Methyl 2,3-dimethylbenzoate, also known as 2,3-dimethylbenzoic acid methyl ester, is an organic compound that serves as a valuable synthetic intermediate in the chemical industry. It is characterized by its aromatic structure, featuring a benzene ring with two methyl groups at the 2nd and 3rd positions and a methyl ester functional group. Methyl 2,3-dimethylbenzoateis known for its potential applications in various fields due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
Methyl 2,3-dimethylbenzoate is used as a synthetic intermediate for the production of 2,3-Dihydro-1H-isoindole-4-carboxylic Acid (D450070). Methyl 2,3-dimethylbenzoateis a crucial reagent in the synthesis of aminoalkylbenzoic acid derivatives, which have significant therapeutic applications in the treatment of various medical conditions.
Methyl 2,3-dimethylbenzoate is used as a precursor for the development of medications targeting faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, neuropathic pain, neuropathological disorders, and sleep disorders. Its role in the synthesis of these therapeutic agents highlights its importance in the pharmaceutical industry, contributing to the development of novel treatments for a wide range of health issues.

InChI:InChI=1/C10H12O2/c1-7-5-4-6-9(8(7)2)10(11)12-3/h4-6H,1-3H3

Upstream product

• 576-23-8 2,3-dimethylbromobenzene 
• 616-38-6 carbonic acid dimethyl ester 
• 62708-44-5 3-methylbenzocyclobutenone 
• 124-41-4 sodium methylate 
• 186581-53-3 diazomethane 
• 603-79-2 2,3-dimethylbenzoic acid 
• 74-88-4 methyl iodide 
• 87-59-2 2,3-Dimethylaniline 
• 70588-24-8 methyl 1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate 
• 67-56-1 methanol 
• 55262-06-1 methyl 1,2-dimethylcyclohexa-2,5-diene-1-carboxylate 

Downstream Products

• 127168-91-6 methyl 2,3-bis(bromomethyl)benzoate 
• 1379358-75-4 C₁₀H₁₁BrO₂ 
• 13651-14-4 (2,3-dimethylphenyl)methanol 
• 603-79-2 2,3-dimethylbenzoic acid 
• 898787-06-9 3-(2,3-dimethylphenyl)-3-oxopropanenitrile 
• 127168-92-7 methyl 2-benzylisoindoline-4-carboxylate 
• 5628-58-0 methyl 5-hydroxy-2,3-dimethylbenzoate 
• 5628-56-8 methyl 2,3-dimethyl-4-hydroxybenzene-1-carboxylate 
• 5628-60-4 methyl 6-hydroxy-2,3-dimethylbenzoate 

Relevant articles and documents

COMPOUNDS

Provided are benzoxazolinone sulfonamide derivatives that inhibit Na v1.7 activity, pharmaceutical compositions containing them and their use in therapy for the treatment of diseases mediated by Na v1.7 activity.

Isosteric analogs of lenalidomide and pomalidomide: Synthesis and biological activity

A series of analogs of the immunomodulary drugs lenalidomide (1) and pomalidomide (2), in which the amino group is replaced with various isosteres, was prepared and assayed for immunomodulatory activity and activity against cancer cell lines. The 4-methyl and 4-chloro analogs 4 and 15, respectively, displayed potent inhibition of tumor necrosis factor-α (TNF-α) in LPS-stimulated hPBMC, potent stimulation of IL-2 in a human T cell co-stimulation assay, and anti-proliferative activity against the Namalwa lymphoma cell line. Both of these analogs displayed oral bioavailability in rat.

Computational and experimental structure-reactivity relationships: evidence for a side reaction in Alpine-Borane reductions of d-benzaldehydes

Extraordinary stereoselectivity, approaching 100%, has been reported in the reductions of d-benzaldehydes by B-isopinocampheyl-9-borabicyclo[3.3.1]nonane (Alpine-Borane). This is likely because of the extreme size disparity of groups on either side of the carbonyl. Here, we present a structure-reactivity study whereby the reductions of variably substituted d-benzaldehydes are explored using highly sensitive measures for enantiomeric excess and relative reactivity. These results are compared to the relative rates predicted from density functional calculations. The results indicate that 2,6-disubstitution adversely affects the stereoselectivity by means of a non-selective reduction via the dehydroboration product of Alpine-Borane, 9-borabicyclo[3.3.1]nonane.