50424-81-2

Basic information

• Product Name: 4-methyl-2-nitrobenzoyl chloride
• Synonyms: 4-methyl-2-nitrobenzoyl chloride
• CAS NO: 50424-81-2
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.59114
• EINECS: 256-587-0
• Mol File: 50424-81-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 325.3 °C at 760 mmHg
• Flash Point: 150.5 °C
• Appearance: /
• Density: 1.386 g/cm³
• Vapor Pressure: 0.000233mmHg at 25°C
• Refractive Index: 1.579
• CAS DataBase Reference: 4-methyl-2-nitrobenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-2-nitrobenzoyl chloride(50424-81-2)
• EPA Substance Registry System: 4-methyl-2-nitrobenzoyl chloride(50424-81-2)

Safety Data

• Hazardous Substances Data: 50424-81-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H6ClNO3/c1-5-2-3-6(8(9)11)7(4-5)10(12)13/h2-4H,1H3

Upstream product

• 27329-27-7 4-methyl-2-nitrobenzoic acid 

Downstream Products

• 39549-79-6 2-amino-4-methylbenzamide 
• 75844-40-5 7-methyl-quinazolin-4(3H)-one 
• 1449737-58-9 5-bromo-7-methyl-8-nitro-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine 
• 943606-89-1 7-methyl-N⁴-(3-(trifluoromethyl)phenyl)quinazoline-4,8-diamine 
• 20587-29-5 methyl 4-methyl-2-nitrobenzoate 
• 1422357-94-5 C₂₃H₂₁N₃O₅ 
• 1422357-88-7 2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methylbenzamide 
• 1422357-82-1 N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-nitrobenzamide 
• 144485-93-8 7-Methyl-3-(3-methyl-isoxazol-5-yl)-2-phenyl-3H-quinazolin-4-one 
• 144485-92-7 2-Ethyl-7-methyl-3-(3-methyl-isoxazol-5-yl)-3H-quinazolin-4-one 
• 144485-91-6 2,7-Dimethyl-3-(3-methyl-isoxazol-5-yl)-3H-quinazolin-4-one 
• 144485-90-5 7-Methyl-3-(3-methyl-isoxazol-5-yl)-3H-quinazolin-4-one 
• 144485-96-1 2-Amino-4-methyl-N-(3-methyl-isoxazol-5-yl)-benzamide 

Relevant articles and documents

Tricyclic compound as plasma kallikrein inhibitor and application thereof

The invention provides a tricyclic plasma kallikrein inhibitor compound which is novel in structure, good in activity and high in selectivity. The tricyclic plasma kallikrein inhibitor compound can be widely applied to prevention or treatment of diseases related to plasma kallikrein activity.

Synthesis and Quantitative Structure-Activity Relationships of Selective BCRP Inhibitors

The breast cancer resistance protein (BCRP/ABCG2) is a member of the ABC transporter superfamily. This protein has a number of physiological functions, including protection of the human body from xenobiotics. The overexpression of BCRP in certain tumor cell lines causes cross-resistance against various drugs used in chemotherapeutic treatment. In a previous work we showed that a new class of compounds derived from XR9576 (tariquidar) selectively inhibits BCRP. In this work we synthesized more members of this class, with modification on the second and third aromatic rings. The inhibitory activities against BCRP and P-gp were assayed using a Hoechst 33342 assay for BCRP and a calcein AM assay for P-gp. Finally, quantitative structure-activity relationships for both aromatic rings were established. The results obtained show the importance of the electron density on the third aromatic ring, influenced by substituents, pointing to interactions with aromatic residues of the protein binding site. In the second aromatic ring the activity of compounds is influenced by the steric volume of the substituents.

Structure-activity relationships of substituted benzothiophene-anthranilamide factor Xa inhibitors

Compound 1 was identified by high throughput screening as a novel, potent, non-amidine factor Xa inhibitor with good selectivity against thrombin and trypsin. A series of modifications of the three aromatic groups of 1 was investigated. Substitution of chlorine or bromine for fluorine on the aniline ring led to the discovery of subnanomolar factor Xa inhibitors. Positions on the anthranilic acid ring that can accommodate further substitution were also identified.