2-Amino-4'-bromoacetophenone supplier

Name
2-Amino-4'-bromoacetophenone
EINECS
CAS No. 7644-04-4
Article Data12
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO
Boiling Point 322.8 °C at 760 mmHg
Molecular Weight 214.062
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4'-bromoacetophenone;Acetophenone,2-amino-4'-bromo- (8CI);2-Amino-1-(4-bromophenyl)ethanone;Aminomethyl4-Bromophenyl ketone;Aminomethyl p-bromophenyl ketone;p-Bromophenacylamine;a-Amino-4-bromoacetophenone;a-Amino-p-bromoacetophenone;
PSA 43.09000
LogP 2.29080

Synthetic route

: 99-73-0
para-bromophenacyl bromide

: 7644-04-4
4-bromophenacylamine

Conditions

Conditions	Yield
With hexamethylenetetramine In toluene at 40℃; for 16h; Inert atmosphere;	92%
Stage #1: para-bromophenacyl bromide With hexamethylenetetramine In chloroform at 60℃; for 5h; Stage #2: With hydrogenchloride In ethanol; water at 85℃; for 14h;	69%
With hexamethylenetetramine; sodium iodide In ethanol; chloroform for 24h; Ambient temperature;

: N-(2-(4-bromophenyl)-2-oxoethyl)picolinamide

: 7644-04-4
4-bromophenacylamine

Conditions

Conditions	Yield
Stage #1: N-(2-(4-bromophenyl)-2-oxoethyl)picolinamide With hydrogenchloride In tetrahydrofuran; water at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: With zinc In tetrahydrofuran; water at 20℃; for 1.5h; Inert atmosphere;	30%

: 24358-62-1
1-(4-bromophenyl)ethylamine

: 7644-04-4
4-bromophenacylamine

<4-bromo-phenacyl>-hexamethylenetetraminium bromide: <4-bromo-phenacyl>-hexamethylenetetraminium bromide

: 7644-04-4
4-bromophenacylamine

Conditions

Conditions	Yield
With hydrogenchloride

: 7644-04-4
4-bromophenacylamine

: 41147-82-4
4-Bromophenylethanolamine

Conditions

Conditions	Yield
With potassium hydroxide In isopropyl alcohol at 100℃; Microwave irradiation;	95%
With sodium tetrahydroborate In methanol at 0℃; for 0.5h;

: 98-98-6
2-Picolinic acid

: 7644-04-4
4-bromophenacylamine

: N-(2-(4-bromophenyl)-2-oxoethyl)picolinamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 16h; Inert atmosphere;	86%
Stage #1: 2-Picolinic acid With chloroformic acid ethyl ester; triethylamine In dichloromethane at -15℃; for 0.5h; Inert atmosphere; Stage #2: 4-bromophenacylamine In dichloromethane at -15 - 20℃; Inert atmosphere;

: 79791-29-0
2-(3-(2,5-dimethylphenoxy)propyl)-2-methylpropionyl chloride

: 7644-04-4
4-bromophenacylamine

: C23H28BrNO3

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 4h;	81%

: 7644-04-4
4-bromophenacylamine

: 42066-86-4
2-isocyanatobenzonitrile

: 603069-36-9
1-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3-(2-cyano-phenyl)-urea

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 0.666667h; Heating;	78%

: 7644-04-4
4-bromophenacylamine

: 41647-74-9
4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxylic acid chloride

: 4-(6,7-dimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃;	72%

: 7644-04-4
4-bromophenacylamine

: 425634-93-1
3-(2,4-dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-propionic acid

: 425635-00-3
N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3-(2,4-dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-propionamide

Conditions

Conditions	Yield
With dmap; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In N,N-dimethyl-formamide at 20℃; for 18h;

: 7644-04-4
4-bromophenacylamine

: 425634-90-8
3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-propionic acid

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-propionamide

Conditions

Conditions	Yield
With dmap; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In N,N-dimethyl-formamide at 20℃; for 18h;

: 7644-04-4
4-bromophenacylamine

: 71703-23-6
3-acetyl-4-methoxy-2H-chromen-2-one

: 535921-03-0
3-acetyl-4-[2-(4-bromo-phenyl)-2-oxo-ethylamino]-chromen-2-one

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 0.5h;

: 7644-04-4
4-bromophenacylamine

: 535921-01-8
3-benzoyl-4-methoxycoumarin

: 535921-06-3
3-benzoyl-4-[2-(4-bromo-phenyl)-2-oxo-ethylamino]-chromen-2-one

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 0.5h;

: 59-67-6
nicotinic acid

: 7644-04-4
4-bromophenacylamine

: 13337-78-5
N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 55-22-1
pyridine-4-carboxylic acid

: 7644-04-4
4-bromophenacylamine

: 151427-14-4
N-(4'-bromophenacyl)isonicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 3222-47-7
6-methylnicotinic acid

: 7644-04-4
4-bromophenacylamine

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-6-methyl-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 2398-81-4
Nicotinic acid N-oxide

: 7644-04-4
4-bromophenacylamine

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-1-oxy-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 5326-23-8
6-Chloro-3-pyridinecarboxylic acid

: 7644-04-4
4-bromophenacylamine

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-6-chloro-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 824-40-8
2-pyridinecarboxylic acid N-oxide

: 7644-04-4
4-bromophenacylamine

: 1-oxy-pyridine-2-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 2942-59-8
2-chloronicotinic acid

: 7644-04-4
4-bromophenacylamine

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-2-chloro-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 5345-47-1
2-aminopyridin-3-carboxylic acid

: 7644-04-4
4-bromophenacylamine

: 2-amino-N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-nicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

: 13602-12-5
Isonicotinic acid N-oxide

: 7644-04-4
4-bromophenacylamine

: N-[2-(4-bromo-phenyl)-2-oxo-ethyl]-1-oxy-isonicotinamide

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In N,N-dimethyl-formamide

2-Amino-4'-bromoacetophenone Specification

The 2-Amino-4'-bromoacetophenone is an organic compound with the the formula C₈H₈BrNO. The Systematic name of this chemical is 2-amino-1-(4-bromophenyl)ethanone. With the CAS registry number 7644-04-4, it is also named as ethanone, 2-amino-1-(4-bromophenyl)-. The product's categories are Organic Materials; Pharmaceutical Intermediates; Aromatic.

The other characteristics of 2-Amino-4'-bromoacetophenone can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.41; (7)ACD/KOC (pH 5.5): 8.11; (8)ACD/KOC (pH 7.4): 136.76; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 47.5 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 18.83×10^-24 cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 56.47 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000272 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccc(Br)cc1)CN
2. InChI:InChI=1/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
3. InChIKey:ZQFATRVLQKIVTH-UHFFFAOYAA
4. Std. InChI:InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
5. Std. InChIKey:ZQFATRVLQKIVTH-UHFFFAOYSA-N

Product Name

2-Amino-4'-bromoacetophenone

Synthetic route

2-Amino-4'-bromoacetophenone Specification

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