N-Methyl-2'-benzoyl-2,4'-dichloroacetanilide supplier

Name
N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide
EINECS 227-875-3
CAS No. 6021-21-2
Article Data9
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point 122-124℃
Formula C₁₆H₁₃Cl₂NO₂
Boiling Point 509.3 °C at 760 mmHg
Molecular Weight 322.191
Flash Point 261.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetanilide,2'-benzoyl-2,4'-dichloro-N-methyl- (7CI,8CI);5-Chloro-2-(2-chloro-N-methylacetamido)benzophenone;N-Methyl-2'-benzoyl-2,4'-dichloroacetanilide;
PSA 37.38000
LogP 3.77260

Synthetic route

: 79-04-9
chloroacetyl chloride

: 1022-13-5
5-chloro-2-(methylamino)benzophenone

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

Conditions

Conditions	Yield
In 2-methyltetrahydrofuran; dichloromethane at 90℃; under 5171.62 Torr; Temperature; Flow reactor;	99%
at 25℃; for 5h; Inert atmosphere;	94.5%
With sodium hydrogencarbonate In toluene at 40℃; for 2h;	92%
In toluene Solvent;
In acetonitrile Mechanism; Solvent;

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 439-14-5
diazepam

Conditions

Conditions	Yield
With hexamethylenetetramine; ammonia; nitric acid In methanol; water; toluene	96.09%
With hexamethylenetetramine; urotropin hydrochloride In ethanol Heating;	90%
With hexamethylenetetramine; ammonia In methanol at 60℃; for 6h;	58.4%

: 110-86-1
pyridine

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 80356-39-4
1-(6-Chloro-1-methyl-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl)-pyridinium; chloride

Conditions

Conditions	Yield
	94%

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

A: 37393-81-0
6-chloro-3,4-epoxy-1,2,3,4-tetrahydro-1-methyl-2-oxo-4-phenylquinoline

B: 37393-79-6
6-chloro-1,2-dihydro-3-hydroxy-1-methyl-2-oxo-4-phenylquinoline

C: 5220-02-0
3-amino-6-chloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

D: 3,6-dichloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

E: 6-Chloro-3-methyl-7b-phenyl-1,1a,3,7b-tetrahydro-1,3-diaza-cyclopropa[a]naphthalen-2-one

F: 439-14-5
diazepam

Conditions

Conditions	Yield
With ammonia In ethanol at 80℃; for 2h; Mechanism; further reagent;	A n/a B n/a C n/a D n/a E n/a F 65%

...Expand

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

A: 37393-79-6
6-chloro-1,2-dihydro-3-hydroxy-1-methyl-2-oxo-4-phenylquinoline

B: 5220-02-0
3-amino-6-chloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

C: 3,6-dichloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

D: 439-14-5
diazepam

Conditions

Conditions	Yield
With ammonia In ethanol at 80℃; for 2h; Further byproducts given;	A n/a B n/a C n/a D 65%

...Expand

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

A: 37393-81-0
6-chloro-3,4-epoxy-1,2,3,4-tetrahydro-1-methyl-2-oxo-4-phenylquinoline

B: 3,6-dichloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol at 60℃; for 48h;	A n/a B 5.3%

: 21539-47-9
3-ethylamino propionitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[(2-cyano-ethyl)-ethyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 693-51-6
3-(butylamino)propanenitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 59049-46-6
N-(2-Benzoyl-4-chloro-phenyl)-2-[butyl-(2-cyano-ethyl)-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 21539-52-6
N-sec-butyl-β-alanine nitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[sec-butyl-(2-cyano-ethyl)-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 540-61-4
2-aminoacetonitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 59049-39-7
N-(2-Benzoyl-4-chloro-phenyl)-2-(cyanomethyl-amino)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 151-18-8
2-cyanoethylamine

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-(2-cyano-ethylamino)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 59049-40-0
N-(2-Benzoyl-4-chloro-phenyl)-2-[(2-cyano-ethyl)-methyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 34508-81-1
3-[(prop-2-en-1-yl)amino]propanenitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 2-[Allyl-(2-cyano-ethyl)-amino]-N-(2-benzoyl-4-chloro-phenyl)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 59676-91-4
3-(pentylamino)propanenitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[(2-cyano-ethyl)-pentyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 16750-40-6
(+-)-3-amino-butyronitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-(2-cyano-1-methyl-ethylamino)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 96-16-2
(RS)-2-methyl-3-aminopropionitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-(2-cyano-2-methyl-ethylamino)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 67744-69-8
3-(methylamino)butanenitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 59049-42-2
N-(2-Benzoyl-4-chloro-phenyl)-2-[(2-cyano-1-methyl-ethyl)-methyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 31058-09-0
4-methylamino-butyronitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[(3-cyano-propyl)-methyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 6066-83-7
5-Aminopentanenitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[(3-cyano-propyl)-methyl-amino]-N-methyl-acetamide

: 54718-24-0
3-butylamino-butyronitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[butyl-(2-cyano-1-methyl-ethyl)-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 63145-02-8
2-(Butylamino)-1-methylethyl Cyanide

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: N-(2-Benzoyl-4-chloro-phenyl)-2-[butyl-(2-cyano-2-methyl-ethyl)-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 50840-30-7
(R)-2-Methyl-3-methylamino-propionitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 50840-32-9
N-(2-Benzoyl-4-chloro-phenyl)-2-[(2-cyano-2-methyl-ethyl)-methyl-amino]-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 5680-79-5
glycine ethyl ester hydrochloride

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 59049-68-2
({[(2-Benzoyl-4-chloro-phenyl)-methyl-carbamoyl]-methyl}-amino)-acetic acid methyl ester

Conditions

Conditions	Yield
With triethylamine In toluene

: 76201-87-1
3-Allylamino-butyronitrile

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 2-[Allyl-(2-cyano-1-methyl-ethyl)-amino]-N-(2-benzoyl-4-chloro-phenyl)-N-methyl-acetamide

Conditions

Conditions	Yield
In 1,4-dioxane

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 3-amino-6-chloro-1,2,3,4-tetrahydro-4-hydroxy-1-methyl-2-oxo-4-phenylquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaHCO3 / ethanol / 48 h / 60 °C 2: NH3 / ethanol / 1 h / Heating View Scheme

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 3-pyridinio-6-chloro-1-methyl-4-phenyl-2-(1H)quinolone pseudo base chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94 percent 2: 40percent sodium hydroxide / H2O View Scheme

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 5220-02-0
3-amino-6-chloro-1,2-dihydro-1-methyl-2-oxo-4-phenylquinoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 94 percent 2: 40percent sodium hydroxide / H2O 3: 38 percent / 220 °C / 0.5 Torr View Scheme

: 141-43-5
ethanolamine

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: 24111-44-2
10-chloro-7-methyl-11b-phenyl-2,3,7,11b-tetrahydro-benzo[f]oxazolo[3,2-d][1,4]diazepin-6-one

Conditions

Conditions	Yield
With triethylamine In ethanol

: 6021-21-2
2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone

: C19H19ClN2O4S

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: hexamethylenetetramine; ammonia / methanol / 6 h / 60 °C 2.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 2.2: 3 h / -25 °C 3.1: ozone / dichloromethane / -78 °C 3.2: 0.08 h / -78 °C 3.3: 3 h / -78 - 25 °C 4.1: sodium tetrahydroborate / methanol / 1 h / 25 °C 5.1: triethylamine / dichloromethane / 1 h / 0 °C View Scheme

N-Methyl-2'-benzoyl-2,4'-dichloroacetanilide Specification

The Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-, with the CAS registry number 6021-21-2, is also known as 2-Chloro-N-[4-chloro-2-(phenylcarbonyl)phenyl]-N-methylacetamide. Its EINECS number is 227-875-3. This chemical's molecular formula is C₁₆H₁₃Cl₂NO₂ and molecular weight is 322.19. What's more, its systematic name is N-(2-Benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide.

Physical properties of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 160.94; (6)ACD/BCF (pH 7.4): 160.94; (7)ACD/KOC (pH 5.5): 1321.71; (8)ACD/KOC (pH 7.4): 1321.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 84.76 cm³; (15)Molar Volume: 242.5 cm³; (16)Polarizability: 33.6×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 261.8 °C; (20)Enthalpy of Vaporization: 77.98 kJ/mol; (21)Boiling Point: 509.3 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride and 5-chloro-2-methylamino-benzophenone at the temperature of 40°C. This reaction will need reagent aq.NaHCO₃ and solvent toluene with the reaction time of 2 hours. The yield is about 92%.

Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl- can be prepared by chloroacetyl chloride and 5-chloro-2-methylamino-benzophenone at the temperature of 40°C

Uses of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-: it can be used to produce 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one when it is heated. It will need reagent hexamine, hexamine hydrochloride and solvent aq. ethanol. The yield is about 90%.

Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl- can be used to produce 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one when it is heated

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(N(C(=O)CCl)C)cc1)C(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3)Std. InChIKey: DSAWUUVGNZAARH-UHFFFAOYSA-N

Product Name

N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide

Synthetic route

N-Methyl-2'-benzoyl-2,4'-dichloroacetanilide Specification

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