5791-00-4

Basic information

• Product Name: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
• Synonyms: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE;6-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE;2-Methyl-6-chloro-2H-1,4-benzooxazine-3(4H)-one;6-chloro-2-methyl-4H-1,4-benzoxazin-3-one;6-Chloro-2-Methyl-2,4-dihydro-1,4-benzoxazin-3-one;6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
• CAS NO: 5791-00-4
• Molecular Formula: C9H8ClNO2
• Molecular Weight: 197.62
• Mol File: 5791-00-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 172.0 to 176.0 °C
• Boiling Point: 356.9°C at 760 mmHg
• Flash Point: 169.6°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 2.83E-05mmHg at 25°C
• Refractive Index: 1.552
• PKA: 11.93±0.40(Predicted)
• CAS DataBase Reference: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(5791-00-4)
• EPA Substance Registry System: 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE(5791-00-4)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 60
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• RTECS: DM3750000
• Hazardous Substances Data: 5791-00-4(Hazardous Substances Data)

Usage

Structure

Consists of a benzene ring fused to a six-membered oxygen-containing ring

Derivative

Chlorinated derivative of benzoxazin

Properties

1. Herbicidal: Acts as a herbicide
2. Allelopathic: Exhibits allelopathic properties, inhibiting the growth of competing vegetation

Occurrence

Found in certain plants of the Poaceae family, such as maize and wheat

Natural defense mechanism

Acts as a defense mechanism against pests and competing vegetation in plants like maize and wheat

Applications

1. Weed control
2. Crop protection

Research interest

Significant interest from researchers and agricultural scientists for potential applications

InChI:InChI=1/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)

Upstream product

• 535-11-5 Ethyl 2-bromopropionate 
• 95-85-2 2-hydroxy-5-chloro-aniline 
• 563-76-8 α-bromopropionyl bromide 
• 7623-09-8 2-chloropropionyl chloride 

Downstream Products

• 57462-99-4 6-chloro-4-(2-hydroxy-ethyl)-2-methyl-4H-benzo[1,4]oxazin-3-one 
• 57463-00-0 6-chloro-4-(3-hydroxy-propyl)-2-methyl-4H-benzo[1,4]oxazin-3-one 
• 52042-24-7 2-methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine 

Relevant articles and documents

Inductive heating with magnetic materials inside flow reactors

Superparamagnetic nanoparticles coated with silica gel or alternatively steel beads are new fixed-bed materials for flow reactors that efficiently heat reaction mixtures in an inductive field under flow conditions. The scope and limitations of these novel heating materials are investigated in comparison with conventional and microwave heating. The results suggest that inductive heating can be compared to microwave heating with respect to rate acceleration. It is also demonstrated that a very large diversity of different reactions can be performed under flow conditions by using inductively heated flow reactors. These include transfer hydrogenations, heterocyclic condensations, pericyclic reactions, organometallic reactions, multicomponent reactions, reductive cyclizations, homogeneous and heterogeneous transition-metal catalysis. Silica-coated iron oxide nanoparticles are stable under many chemical conditions and the silica shell could be utilized for further functionalization with Pd nanoparticles, rendering catalytically active heatable iron oxide particles.

HETEROBICYCLIC METALLOPROTEASE INHIBITORS

The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP- 13 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP- 13 inhibitors.

Potential Diuretics: Part I - Synthesis of Some Substituted 2,4-Dihydro-1-oxo/thioxotriazolobenzoxazines, Novel Diuretic Agents

Several compounds (V) derived from 2,4-dihydro-1-oxobenzoxazine and some of their 1-thioxo analogues (VI) have been synthesized and evaluated for their diuretic activity in rats.Compound Vg is the most potent member of this series with 250percent urine output of the saline control at 1 mg/kg dose.The pattern of excretion of electrolytes is similar to that of the hydrochlorothiazide at the same dose.Furthermore, its diuretic activity is very much dose-dependent over a wide range of doses (1.0-32.0 mg/kg).