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52123-54-3

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Basic Information
CAS No.: 52123-54-3
Name: N-CHLOROMETHYL-N-PHENYLCARBAMOYL CHLORIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 52123-54-3 (N-CHLOROMETHYL-N-PHENYLCARBAMOYL CHLORIDE)
Formula: C8H7Cl2NO
Molecular Weight: 204.056
Synonyms: N-CHLOROMETHYL-N-PHENYLCARBAMOYL CHLORIDE;N-Chloromethyl-N-BenzenecarbamoylChloride;(CHLOROMETHYL)PHENYLCARBAMICCHLORIDE;N-chloromethyl-N-benzenecarbamoyl chloride N-chloromethyl-N-benzenecarbamoyl chloride
Density: 1.385±0.06 g/cm3(Predicted)
Melting Point: 45-46oC
Boiling Point: 318.8±25.0 °C(Predicted)
PSA: 20.31000
LogP: 3.04810
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Conditions
ConditionsYield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) In tetrachloromethane Substitution; Heating;64%

N-dichloromethyl-N-phenylcarbamoyl chloride

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Conditions
ConditionsYield
In chlorobenzene Green chemistry;
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Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: chlorine / chlorobenzene / 40 °C / Green chemistry
2: chlorobenzene / Green chemistry
View Scheme
Multi-step reaction with 2 steps
1: chloroform / 15 - 50 °C
2: 2,2'-azobis(isobutyronitrile); chlorine / 55 °C
View Scheme
Multi-step reaction with 2 steps
1: n-butyl formate / 50 - 60 °C / Flow reactor; Large scale
2: hydrogenchloride / 50 - 60 °C / Flow reactor; Large scale
View Scheme
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N-phenyl-N-methylcarbamoyl chloride

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Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); chlorine at 55℃;
With hydrogenchloride at 50 - 60℃; Temperature; Flow reactor; Large scale;
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N-Chloromethyl-N-phenylcarbamoyl chloride

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Conditions
ConditionsYield
Stage #1: N-Chloromethyl-N-phenylcarbamoyl chloride With dipotassium peroxodisulfate; 3,6-dimethyl-3,6-dihydroperoxy-4,5-dioxaoctane at 40 - 45℃; Flow reactor; Large scale;
Stage #2: N-tert-butyl-N'-isopropylthiourea With tetradecyltrimethylammonium chloride; calcium hydroxide at 15 - 50℃; Reagent/catalyst; Temperature; Flow reactor; Large scale;		92.3%
With sodium acetate In water; toluene at 30 - 45℃; for 2h; Temperature; Reagent/catalyst;87%
With sodium hydrogencarbonate In water; chlorobenzene at 0 - 30℃; for 5.5h; Green chemistry;
With ammonia In 1,4-dioxane at 10 - 40℃; for 5h; Reagent/catalyst;
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N-Chloromethyl-N-phenylcarbamoyl chloride

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3-(2-Fluoro)phenyl-5-mercapto-1,2,4-triazole

2-(2-fluoro-phenyl)-5-phenyl-5,6-dihydro-7-thia-1,3,3a,5-tetraaza-inden-4-one

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Condensation; Cyclization;87%
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N-Chloromethyl-N-phenylcarbamoyl chloride

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Conditions
ConditionsYield
With triethylamine In tetrahydrofuran; benzene Heating;87%
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N-Chloromethyl-N-phenylcarbamoyl chloride

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3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thiol

2-(4-methoxy-phenyl)-5-phenyl-5,6-dihydro-7-thia-1,3,3a,5-tetraaza-inden-4-one

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;86%
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N-Chloromethyl-N-phenylcarbamoyl chloride

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3-(2,4-dichlorophenyl)-5-mercapto-1,2,4,s-triazole

2-(2,4-dichloro-phenyl)-5-phenyl-5,6-dihydro-7-thia-1,3,3a,5-tetraaza-inden-4-one

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;85%
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3-(4-Fluoro)phenyl-5-mercapto-1,2,4-triazole

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Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Condensation; Cyclization;85%
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