98730-04-2

Basic information

• Product Name: Benoxacor
• Synonyms: 2-PHENYL-4,6-DICHLORO PYRIMIDINE;BENOXACOR;SOFIT;(+-)-2,2-dichloro-1-(3,4-dihydro-3-methyl-2h-1,4-benzoxazin-4-yl)ethanone;(+-)-4-(dichloroacetyl)-3,4-dihydro-3-methyl-2h-1,4-benzoxazine;4-dihydro-3-methyl-4-benzoxazin(+-)-2h-4-(dichloroacetyl)-3;(±)2,2-dichloro-1-(3,4-dichloro-3-methyl-2H-1，4-bensoxazin-4-yl)ethanone;primextras
• CAS NO: 98730-04-2
• Molecular Formula: C₁₁H₁₁Cl₂NO₂
• Molecular Weight: 260.12
• Product Categories: A-BAlphabetic;Alpha sort;B;BA - BH;Pesticides&Metabolites
• Mol File: 98730-04-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 105-107°
• Boiling Point: 240°C (rough estimate)
• Flash Point: >107 °C
• Appearance: /
• Density: 1.3416 (rough estimate)
• Vapor Pressure: 6.78E-07mmHg at 25°C
• Refractive Index: 1.6070 (estimate)
• Storage Temp.: 0-6°C
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 1.20±0.40(Predicted)
• Water Solubility: 38mg/L at 25℃
• BRN: 4190275
• CAS DataBase Reference: Benoxacor(CAS DataBase Reference)
• NIST Chemistry Reference: Benoxacor(98730-04-2)
• EPA Substance Registry System: Benoxacor(98730-04-2)

Safety Data

• WGK Germany: 2
• RTECS: DM3029000
• Hazardous Substances Data: 98730-04-2(Hazardous Substances Data)

Usage

Uses

Benoxacor is a herbicide used as a part of pesticidal compositions.

Flammability and Explosibility

Nonflammable

Metabolic pathway

In cell suspension cultures of corn (Zea mays) with 14C-benoxacor, benoxacor is rapidly metabolized to six detectable metabolites within 0.5 h. Twelve metabolites are detected in extracts from the treated cells for 24 h. Of the three predominant metabolites present, two metabolites are the catabolic formylcarboxamide and carboxycarboxamide derivatives of benoxacor. The third one is the mono glutathione conjugate of benoxacor. This metabolite consists of a single glutathione molecule linked via the cysteinyl sulfhydryl group to the N-dichloroacetyl a- carbon of benoxacor. A catabolic a-hydroxyacetamide derivative is detected as well as its amino acid conjugates either containing glutathione residue or presumably derived from the glutathione residue. A disaccharide conjugate is identified as S-(O-diglycoside)glutathione conjugate.

InChI:InChI=1/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3

Upstream product

• 79-36-7 dichloroacethyl chloride 
• 32329-20-7 (RS)-3-methyl-3,4-dihydro-2H-[1,4]benzoxazine 
• 5330-66-5 1-(2-nitrophenoxy)-propan-2-one 
• 88-75-5 2-hydroxynitrobenzene 

Relevant articles and documents

New fenclorim synthesis process

The invention discloses a new fenclorim synthesis process, which includes the following steps: adding 3,4-dihydro-3-methyl-2H-1,4-benzoxazine and a solvent into a reaction kettle, stirring and dissolving, connecting the reaction kettle with a tail gas absorption device, dripping dichloroacetyl chloride after heating to reflux, and performing a reflux reaction after dripping to obtain a reaction solution; and distilling the obtained reaction solution under reduced pressure, dehydrating the solvent to obtain a crude product, and recrystallizing with methanol to obtain the fenclorim. According tothe new fenclorim synthesis process, the dichloroacetyl chloride is dripped by a high-temperature reflux method, tail gas absorbs hydrogen chloride gas at the same time, and the absorbed hydrogen chloride gas is dissolved in water to prepare hydrochloric acid as a by-product. About 0.5 tons of 30% hydrochloric acid can be simultaneously obtained by synthesizing one ton of oxadiazon; the content of the fenclorim is over 99%, and the yield is over 95%; and the new fenclorim synthesis process avoids the generation of a large amount of waste brine, can reduce the production cost, has simple operation and is easy for industrial production.

PROCESS FOR PREPARING ACYL AMIDE COMPOUNDS

A process for preparing acyl amide compounds is described, in which a recrystallized o-nitrophenoxy carbonyl compound is hydrogenated with hydrogen gas in the presence of a nickel sponge metal catalyst with ring closure to form a benzoxazine, which is then reacted with an acyl halide to give the corresponding acyl amide compound.