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| CAS No.: | 37148-47-3 |
|---|---|
| Name: | 4-Amino-3,5-dichloro-alpha-bromoacetophenone |
| Molecular Structure: | |
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| Formula: | C8H6BrCl2NO |
| Molecular Weight: | 282.952 |
| Synonyms: | 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone;4-Amino-w-bromo-3,5-dichloroacetophenone; |
| EINECS: | 253-367-6 |
| Density: | 1.764 g/cm3 |
| Melting Point: | 142-145 °C |
| Boiling Point: | 396.4 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
| Appearance: | Yellow solid |
| PSA: | 43.09000 |
| LogP: | 3.73440 |
1-(4-amino-3,5-dichlorophenyl)-1-ethanone
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| With bromine at 20℃; for 3h; | 95.2% |
| Stage #1: 1-(4-amino-3,5-dichlorophenyl)-1-ethanone With bromine In chloroform for 0.5h; Reflux; Inert atmosphere; Stage #2: With triethylamine; phosphonic acid diethyl ester In tetrahydrofuran at 0 - 20℃; for 0.166667h; Inert atmosphere; | 89% |
| Stage #1: 1-(4-amino-3,5-dichlorophenyl)-1-ethanone With bromine In tetrahydrofuran; chloroform for 0.416667h; Reflux; Stage #2: With diethyl phosphite; triethylamine In tetrahydrofuran at 20℃; for 0.166667h; | 89% |
2,6-Dichloroaniline
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: iron(III) chloride / chloroform / 6 h / 0 - 20 °C 2: bromine / 3 h / 20 °C View Scheme |
4-Aminoacetophenone
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N-chloro-succinimide / acetonitrile / 4.5 h / 20 °C 2: copper(ll) bromide / ethyl acetate; chloroform; ethanol / 2 h / Reflux View Scheme |
1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 6h; Solvent; | 96% |
| With N-ethyl-N,N-diisopropylamine In chloroform for 3h; Reflux; | 72% |
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
2-Amino-2-methyl-1-propanol
| Conditions | Yield |
|---|---|
| In chloroform at 20℃; for 2h; | 91% |
N-Methyl-2-amino-2-methyl-1-propanol
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
2-(4-amino-3,5-dichlorophenyl)-4,5,5-trimethylmorpholin-2-ol
| Conditions | Yield |
|---|---|
| In chloroform at 20℃; for 2h; | 91% |
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
3-aminoterephthalic acid
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide for 1h; | 90% |
thioanthranilic acid
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 70℃; for 2h; | 88.1% |
1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one
2-amino-benzene-1,4-dicarboxylic acid,4-methyl ester
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; | 82% |
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The Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo-, with the CAS registry number 37148-47-3 and EINECS registry number 253-367-6, has the systematic name of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanone. It is a kind of yellow solid, and belongs to the following product categories: Aromatics Compounds; Aromatics. And the molecular formula of the chemical is C8H6BrCl2NO.
The characteristics of Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo- are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.64; (6)ACD/BCF (pH 7.4): 223.64; (7)ACD/KOC (pH 5.5): 1672.69; (8)ACD/KOC (pH 7.4): 1672.69; (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: 1.643; (14)Molar Refractivity: 58.03 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 23×10-24cm3; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.764 g/cm3; (19)Flash Point: 193.6 °C; (20)Enthalpy of Vaporization: 64.67 kJ/mol; (21)Boiling Point: 396.4 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-06 mmHg at 25°C.
Uses of Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo-: It can react with 2-amino-benzoic acid to produce 2-amino-benzoic acid 2-(4-amino-3,5-dichloro-phenyl)-2-oxo-ethyl ester. This reaction will need reagent NaHCO3, and the menstruum dimethylformamide. And the yield is about 79%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)CBr
(2)InChI: InChI=1/C8H6BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2
(3)InChIKey: ATKJJUFAWYSFID-UHFFFAOYAL
