61563-28-8

Basic information

• Product Name: 2-CHLORO-3-METHYLBENZAL DEHYDE
• Synonyms: 2-CHLORO-3-METHYLBENZAL DEHYDE
• CAS NO: 61563-28-8
• Molecular Formula: C₈H₇ClO
• Molecular Weight: 154.595
• Mol File: 61563-28-8.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 228.394°C at 760 mmHg
• Flash Point: 103.272°C
• Appearance: /
• Density: 1.195g/cm³
• Vapor Pressure: 0.074mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-CHLORO-3-METHYLBENZAL DEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-3-METHYLBENZAL DEHYDE(61563-28-8)
• EPA Substance Registry System: 2-CHLORO-3-METHYLBENZAL DEHYDE(61563-28-8)

Safety Data

• Hazardous Substances Data: 61563-28-8(Hazardous Substances Data)

Usage

General Description

2-Chloro-3-methylbenzaldehyde is a chemical compound with the formula C8H7ClO. It is a pale yellow liquid with a strong, sweet, floral odor. 2-CHLORO-3-METHYLBENZAL DEHYDE is often used as a building block in the synthesis of various pharmaceuticals and fine chemicals. It is also used as a flavoring agent in the food industry and as an intermediate in the production of agrochemicals and fragrances. 2-Chloro-3-methylbenzaldehyde is considered to be a hazardous chemical and should be handled with caution due to its toxic and irritant properties.

InChI:InChI=1/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3

Upstream product

• 134271-45-7 1-(bromomethyl)-2-chloro-3-methylbenzene 
• 565-62-8 3-methylpent-3-en-2-one 
• 68-12-2 N,N-dimethyl-formamide 
• 6781-98-2 2,6-dimethyl-1-chlorobenzene 
• 61563-27-7 (2-chloro-3-methylphenyl)methanol 
• 15068-35-6 2-chloro-3-methylbenzoic acid 
• 576-26-1 2.6-dimethylphenol 
• 876-99-3 2,6-dimethylphenyl chloroformic acid ester 

Downstream Products

• 1857417-10-7 1-((1H-pyrazol-4-yl)methyl)-6-hydroxy-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile 

Relevant articles and documents

2 - Chloro -3 - methyl benzoic acid and intermediate preparation method (by machine translation)

The invention discloses a 2 - chloro - 3 - methyl benzoic acid and intermediate preparation method. A 2 - chloro - 3 - methyl benzoic acid and intermediate preparation method, comprising the following steps, in the oxygen pressure is 0.1 mpa - 0.8 mpa under the condition of, under the action of the catalyst and promoter, the 2, 6 - dimethyl chlorobenzene to carry out oxidation reaction, can be; wherein said 2, 6 - dimethyl chlorobenzene and the oxygen molar amount ratio of 1: 1.8 - 1: 2.2. The 2 - chloro - 3 - methyl benzoic acid, in order to industrially easily available raw materials for the reaction, after treatment is simple, high yield, purity is good, small pollution to the environment, is more suitable for industrial. (by machine translation)

3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.

Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL)

Development of potent small molecule inhibitors of protein-protein interactions with optimized druglike properties represents a challenging task in lead optimization process. Here, we report synthesis and structure-based optimization of new thienopyrimidine class of compounds, which block the protein-protein interaction between menin and MLL fusion proteins that plays an important role in acute leukemias with MLL translocations. We performed simultaneous optimization of both activity and druglike properties through systematic exploration of substituents introduced to the indole ring of lead compound 1 (MI-136) to identify compounds suitable for in vivo studies in mice. This work resulted in the identification of compound 27 (MI-538), which showed significantly increased activity, selectivity, polarity, and pharmacokinetic profile over 1 and demonstrated a pronounced effect in a mouse model of MLL leukemia. This study, which reports detailed structure-activity and structure-property relationships for the menin-MLL inhibitors, demonstrates challenges in optimizing inhibitors of protein-protein interactions for potential therapeutic applications.