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CAS No.: | 15308-01-7 |
---|---|
Name: | 2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C14H10Cl3NO |
Molecular Weight: | 314.599 |
Synonyms: | Acetanilide,2,2',6'-trichloro-N-phenyl- (8CI);2,2',6'-Trichloro-N-phenylacetanilide;N-(Chloroacetyl)-2,6-dichlorodiphenylamine;N-(2,6-Dichlorophenyl)-2-chloro-N-phenylacetamide;N-(2,6-Dichlorophenyl)-N-phenylchloroacetamide;2,2',6'-Trichloro-N-phenylacetanilide;2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide; |
EINECS: | 239-350-6 |
Density: | 1.411 g/cm3 |
Melting Point: | 143-145 °C |
Boiling Point: | 487.5 °C at 760 mmHg |
Flash Point: | 248.6 °C |
Appearance: | White to off white crystalline powder |
PSA: | 20.31000 |
LogP: | 4.89690 |
N-phenyl-2,6-dichloroaniline
chloroacetyl chloride
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
Conditions | Yield |
---|---|
at 106 - 110℃; for 2h; Acetylation; | 86% |
for 16h; Heating; | 66% |
for 5h; Reflux; | |
for 5h; Reflux; | |
In toluene at 120℃; for 3h; Solvent; |
2,2,6,6-tetrachlorocyclohexanone
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 99 percent / TiCl4 / toluene / 2 h / 20 °C 2: Et3N / dimethylformamide / 5 h / 95 - 100 °C 3: 86 percent / 2 h / 106 - 110 °C View Scheme |
aniline
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 99 percent / TiCl4 / toluene / 2 h / 20 °C 2: Et3N / dimethylformamide / 5 h / 95 - 100 °C 3: 86 percent / 2 h / 106 - 110 °C View Scheme |
N-phenyl-2,2,6,6-tetrachlorocyclohexaneimine
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Et3N / dimethylformamide / 5 h / 95 - 100 °C 2: 86 percent / 2 h / 106 - 110 °C View Scheme |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
1-(2,6-dichlorophenyl)indolin-2-one
Conditions | Yield |
---|---|
With aluminium trichloride at 160℃; for 2h; | 75.4% |
With aluminum (III) chloride at 160℃; for 2h; | 62% |
With aluminum (III) chloride at 160℃; for 2h; | |
With triethylamine hydrochloride-aluminum trichloride at 20 - 60℃; for 4.5h; Reagent/catalyst; |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
diclofenac sodium
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 75.4 percent / AlCl3 / 2 h / 160 °C 2: 93 percent / 2 N NaOH / ethanol; H2O / 4 h / Heating View Scheme |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
1-{[(2,6-dichlorophenyl)-3-(4-chlorophenyl)]methylene}-1,3-dihydroindol-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 2 h / 160 °C 2: piperidine / ethanol / Reflux; Inert atmosphere View Scheme |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
1-{[(2,6-dichlorophenyl)-3-(4-fluorophenyl)]methylene}-1,3-dihydroindol-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 2 h / 160 °C 2: piperidine / ethanol / Reflux; Inert atmosphere View Scheme |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
1-{[(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)]methylene}-1,3-dihydroindol-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 2 h / 160 °C 2: piperidine / ethanol / Reflux; Inert atmosphere View Scheme |
2-chloro-N-(2',6'-dichlorophenyl)-N-phenylacetamide
1-{[(2,6-dichlorophenyl)-3-(4-(dimethylamino)phenyl)]methylene}-1,3-dihydroindol-2-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 2 h / 160 °C 2: piperidine / ethanol / Reflux; Inert atmosphere View Scheme |
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The Acetamide,2-chloro-N-(2,6-dichlorophenyl)-N-phenyl-, with the CAS registry number 15308-01-7, is also known as N-(2,6-Dichlorophenyl)-2-chloro-N-phenylacetamide. Its EINECS number is 239-350-6. This chemical's molecular formula is C14H10Cl3NO and molecular weight is 314.59. What's more, its systematic name is 2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide.
Physical properties of Acetamide,2-chloro-N-(2,6-dichlorophenyl)-N-phenyl- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 130.17; (6)ACD/BCF (pH 7.4): 130.17; (7)ACD/KOC (pH 5.5): 1135.48; (8)ACD/KOC (pH 7.4): 1135.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 79.63 cm3; (15)Molar Volume: 222.9 cm3; (16)Polarizability: 31.56×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 248.6 °C; (20)Enthalpy of Vaporization: 75.34 kJ/mol; (21)Boiling Point: 487.5 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-09 mmHg at 25°C.
Preparation of Acetamide,2-chloro-N-(2,6-dichlorophenyl)-N-phenyl-: this chemical can be prepared by chloroacetyl chloride and 2,6-dichloro-N-phenylaniline at the temperature of 106 - 110 °C. The reaction time is 2 hours. It's a reaction of acetylation. The yield is abou 86%.
Uses of Acetamide,2-chloro-N-(2,6-dichlorophenyl)-N-phenyl-: it can be used to produce 1-(2,6-dichlorophenyl)-1,3-dihydro-2H-indol-2-one at the temperature of 160 °C. It will need reagent AlCl3 with the reaction time of 2 hours. The yield is about 75.4%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N(C2=C(C=CC=C2Cl)Cl)C(=O)CCl
(2)InChI: InChI=1S/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2
(3)InChIKey: BPEUHDIEZQWRGC-UHFFFAOYSA-N