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2-Amino-4'-bromoacetophenone
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Name

2-Amino-4'-bromoacetophenone

 EINECS N/A
CAS No. 7644-04-4 Density 1.52 g/cm3
PSA 43.09000 LogP 2.29080
Solubility N/A Melting Point N/A
Formula C8H8BrNO Boiling Point 322.8 °C at 760 mmHg
Molecular Weight 214.062 Flash Point 149 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7644-04-4 (2-Amino-4'-bromoacetophenone) Hazard Symbols N/A
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;

Article Data 12

2-Amino-4'-bromoacetophenone Synthetic route

99-73-0

para-bromophenacyl bromide

7644-04-4

4-bromophenacylamine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogenchloride
7644-04-4

4-bromophenacylamine

41147-82-4

4-Bromophenylethanolamine

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

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 

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