23866-15-1

Basic information

• Product Name: 2 3-DIHYDRO-3-OXO-4H-1 4-BENZOXAZINE-4-&
• Synonyms: 2 3-DIHYDRO-3-OXO-4H-1 4-BENZOXAZINE-4-&;2,3-dihydro-3-oxo-4h-1,4-benzoxazine-4-propionic acid;3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid;2,3-Dihydro-3-oxo-4H-1,4-benzoxazino-4-propionic acid
• CAS NO: 23866-15-1
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.211
• Product Categories: API intermediates
• Mol File: 23866-15-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 163-166 °C(lit.)
• Boiling Point: 525.4°Cat760mmHg
• Flash Point: 271.5°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 7.26E-12mmHg at 25°C
• PKA: 4.30±0.10(Predicted)
• CAS DataBase Reference: 2 3-DIHYDRO-3-OXO-4H-1 4-BENZOXAZINE-4-&(CAS DataBase Reference)
• NIST Chemistry Reference: 2 3-DIHYDRO-3-OXO-4H-1 4-BENZOXAZINE-4-&(23866-15-1)
• EPA Substance Registry System: 2 3-DIHYDRO-3-OXO-4H-1 4-BENZOXAZINE-4-&(23866-15-1)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 23866-15-1(Hazardous Substances Data)

Usage

Uses

2,5-Dichlorobenzyl bromide may be used in the synthesis of methyl 5-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate and methyl 4-(2,5-dichlorobenzyloxy)-2-hydroxybenzoate via chemoselective alkylation of the hydroxyl group of the corresponding ester.

General Description

2,5-Dichlorobenzyl bromide, an aryl halide, is an alkylating agent used in chemical synthesis.

InChI:InChI=1/C11H11NO4/c13-10-7-16-9-4-2-1-3-8(9)12(10)6-5-11(14)15/h1-4H,5-7H2,(H,14,15)/p-1

Upstream product

• 23866-13-9 3-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid methyl ester 
• 23866-14-0 ethyl 3-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)propanoate 
• 5466-88-6 3,4-dihydro-3-oxo-2H-1,4-benzoxazine 
• 57-57-8 β-Propiolactone 
• 95-55-6 2-amino-phenol 
• 23866-12-8 3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanenitrile 

Relevant articles and documents

Synthesis and Structure–Activity Relationship Studies of Benzo[b][1,4]oxazin-3(4H)-one Analogues as Inhibitors of Mycobacterial Thymidylate Synthase X

Since the discovery of a flavin-dependent thymidylate synthase (ThyX or FDTS) that is absent in humans but crucial for DNA biosynthesis in a diverse group of pathogens, the enzyme has been pursued for the development of new antibacterial agents against Mycobacterium tuberculosis, the causative agent of the widespread infectious disease tuberculosis (TB). In response to a growing need for more effective anti-TB drugs, we have built upon our previous screening efforts and report herein an optimization campaign of a novel series of inhibitors with a unique inhibition profile. The inhibitors display competitive inhibition toward the methylene tetrahydrofolate cofactor of ThyX, enabling us to generate a model of the compounds bound to their target, thus offering insight into their structure–activity relationships.