(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
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(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
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CAS No:
51630-33-2
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Formula:
C24H23ClO3
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Chemical Name:
(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
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Synonyms:
Benzeneacetic acid,4-chloro-α-(1-methylethyl)-,(3-phenoxyphenyl)methyl ester;(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate;S 5439;SQ 5439;Duo Chong Wei;64312-67-0
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CAS No:
(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate Basic Attributes
394.895
394.89
2916399090
Characteristics
35.53000
6.61530
1.174g/cm3
495.1ºC at 760mmHg
165ºC
1.58
LD50 orl-mus: >1 g/kg USXXAM #4062968
(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate Use and Manufacturing
The preparation of α-isopropyl p-chlorobenzene acetonitrile will be p-chlorobenzene acetonitrile (93%) 90g, 2-bromopropane (96%) 89g, triethyl m-phenoxybenzyl ammonium chloride (60%) 5g, mix and stir quickly, add dropwise 240mL of 50% sodium hydroxide aqueous solution at <30℃, add dropwise to (58±2)℃, react for 8h, add 100mL toluene, collect the oil layer, extract the water layer with toluene, combine the oil layers , And then washed with saturated brine until the washing water is neutral, detoluene under reduced pressure, stand by without distillation, yield 92%. Preparation of α-isopropyl p-chlorophenylacetic acid 30g (calculated as 100%) of α-isopropyl p-chlorophenylacetonitrile prepared in the previous step and 45 mL of 65% sulfuric acid are heated and reacted at 144~147℃ for 8h, the reaction is complete Cool to 90°C, add 50 mL of toluene, stir to room temperature, transfer to a separatory funnel, wash the reaction flask with 20 mL of toluene, combine in the separatory funnel, separate the water layer, extract the water layer with toluene twice, and combine the toluene solution. Then wash with saturated brine until the washing water is neutral. Adjust the pH to 8-9 with 10% NaOH, separate the water layer, and use it for the next reaction without recrystallization with solvent. The yield is 90%. The quaternary ammonium salt method for the synthesis of valerate: 140mL of an aqueous solution containing 30g of sodium α-isopropyl p-chlorophenylacetate is dehydrated at 80~110℃ to obtain a white sodium salt, and then 62% triethyl m-phenoxybenzyl is added Ammonium chloride 70~90g, dehydration reaction for 4~6h, neutralized with 3% hydrochloric acid to slightly acidic, then washed with saturated brine several times, then washed with water, separated into water layer, detoluene under reduced pressure, content 80%, The highest is 7.2%; the yield is above 80%, and the highest is 92%. The acid chloride method reacts α-isopropyl p-chlorophenylacetic acid with phosphorus trichloride to generate the corresponding acid chloride, and then reacts with m-phenoxybenzyl alcohol. Generates valerate.
High-efficiency, low-toxicity and low-residue broad-spectrum insecticide with contact killing, stomach poisoning and repellent effects, fast knockdown of pests, strong virulence and long duration of effect. It is suitable for controlling pests such as vegetables, fruit trees, tea trees, cotton and rice; it can also be used for controlling pests such as mosquitoes, flies and cockroaches. It can stimulate the growth of crops.
Computed Properties
Molecular Weight:394.9
XLogP3:6.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:394.1335723
Monoisotopic Mass:394.1335723
Topological Polar Surface Area:35.5
Heavy Atom Count:28
Complexity:467
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3-Phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
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