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2-amino-5-bromobenzoyl pyridine
chloroacetyl chloride
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In dichloromethane Inert atmosphere; | 98.5% |
With pyridine In dichloromethane at 20℃; for 0.5h; | 94% |
hexamethylenetetramine
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
A
N,N'-methylenebis<3-(2'-o-pyridoyl-4-bromo)phenyl>-4-imidazolidinone
B
4-oxo-3-(4-bromo-2-(2-pyridylcarbonyl)phenyl)imidazolidine
C
bromazepam
Conditions | Yield |
---|---|
With urotropin hydrochloride In methanol; water Heating; | A n/a B n/a C 80% |
With hydrogenchloride In methanol; water for 7h; Heating; |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
A
N,N'-methylenebis<3-(2'-o-pyridoyl-4-bromo)phenyl>-4-imidazolidinone
B
4-oxo-3-(4-bromo-2-(2-pyridylcarbonyl)phenyl)imidazolidine
C
bromazepam
Conditions | Yield |
---|---|
With hexamethylenetetramine; urotropin hydrochloride In methanol; water Heating; Yields of byproduct given; | A n/a B n/a C 80% |
With hydrogenchloride; hexamethylenetetramine In methanol; water for 7h; Heating; | A n/a B n/a C 79% |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
bromazepam
Conditions | Yield |
---|---|
With hexamethylenetetramine; ammonium acetate In isopropyl alcohol for 4h; Inert atmosphere; Reflux; | 75% |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 2N HCl / methanol; H2O / 7 h / Heating 2: NH4Cl / methanol; H2O / 17 h / Heating 3: pyridine / 24 h / 20 °C View Scheme |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2N HCl / methanol; H2O / 7 h / Heating 2: NH4Cl / methanol; H2O / 17 h / Heating View Scheme |
Conditions | Yield |
---|---|
Stage #1: N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide With hexamethylenetetramine; ammonium acetate In isopropyl alcohol for 4h; Inert atmosphere; Reflux; Stage #2: methanol Inert atmosphere; |
Conditions | Yield |
---|---|
Stage #1: N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide With hexamethylenetetramine; ammonium acetate In isopropyl alcohol for 4h; Inert atmosphere; Reflux; Stage #2: ethanol Inert atmosphere; |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: hexamethylenetetramine; ammonium acetate / isopropyl alcohol / 4 h / Inert atmosphere; Reflux 2.1: potassium tert-butylate / tetrahydrofuran / 1.5 h / -20 - -15 °C / Inert atmosphere 2.2: 2.25 h / -20 - -15 °C / Inert atmosphere 3.1: potassium tert-butylate / tetrahydrofuran / 12 h / -20 - -15 °C / Inert atmosphere 4.1: palladium diacetate; tris-(o-tolyl)phosphine; triethylamine / acetonitrile / 4 h / 75 °C / Inert atmosphere View Scheme |
N-(4-bromo-2-picolinoylphenyl)-2-chloroacetamide
HZ-166
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: hexamethylenetetramine; ammonium acetate / isopropyl alcohol / 4 h / Inert atmosphere; Reflux 2.1: potassium tert-butylate / tetrahydrofuran / 1.5 h / -20 - -15 °C / Inert atmosphere 2.2: 2.25 h / -20 - -15 °C / Inert atmosphere 3.1: potassium tert-butylate / tetrahydrofuran / 12 h / -20 - -15 °C / Inert atmosphere 4.1: palladium diacetate; tris-(o-tolyl)phosphine; triethylamine / acetonitrile / 4 h / 75 °C / Inert atmosphere 5.1: tetrabutyl ammonium fluoride / tetrahydrofuran; water / -20 - 20 °C / Inert atmosphere; Cooling with ice View Scheme |
The IUPAC name of N-[4-Bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide is N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-2-chloroacetamide. With the CAS registry number 41526-21-0, it is also named as 2-[2-(2-Chloroacetamido)-5-bromobenzoyl]pyridine. The product's category is Intermediate of Bromazepam. In addition, its molecular formula is C14H10BrClN2O2 and its molecular weight is 353.60.
The other characteristics of N-[4-Bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide can be summarized as: (1)EINECS: 255-427-7; (2)ACD/LogP: 3.82; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.82; (5)ACD/LogD (pH 7.4): 3.82; (6)ACD/BCF (pH 5.5): 468.77; (7)ACD/BCF (pH 7.4): 468.72; (8)ACD/KOC (pH 5.5): 2841.03; (9)ACD/KOC (pH 7.4): 2840.7; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 4; (13)Polar Surface Area: 50.27 Å2; (14)Index of Refraction: 1.651; (15)Molar Refractivity: 80.94 cm3; (16)Molar Volume: 221.4 cm3; (17)Polarizability: 32.09×10-24cm3; (18)Surface Tension: 59 dyne/cm; (19)Density: 1.596 g/cm3; (20)Flash Point: 301.1 °C; (21)Enthalpy of Vaporization: 86.04 kJ/mol; (22)Boiling Point: 574.3 °C at 760 mmHg; (23)Vapour Pressure: 3.41E-13 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1cc(Br)ccc1NC(=O)CCl)c2ncccc2
(2)InChI:InChI=1/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
(3)InChIKey:LYISZEZBKBGONS-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
(5)Std. InChIKey:LYISZEZBKBGONS-UHFFFAOYSA-N