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Cas Database |
| Name |
Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate |
EINECS | N/A |
| CAS No. | 110543-98-1 | Density | 1.67 g/cm3 |
| PSA | 57.53000 | LogP | 3.93770 |
| Solubility | N/A | Melting Point |
179---180oC |
| Formula | C15H15Br2NO4 | Boiling Point | 529.8 °C at 760 mmHg |
| Molecular Weight | 433.096 | Flash Point | 274.2 °C |
| Transport Information | N/A | Appearance | white crystalline power |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-acetoxy-6-bromo-2-bromomethyl-1-metyl-indol-3-ethyl carboxylate; |
Article Data | 11 |
Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate Synthetic route
- 40945-79-7
1,2-dimethyl-5-acetoxy-1H-indole-3-carboxylic acid ethyl ester
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With bromine In tetrachloromethane for 16h; Inert atmosphere; Reflux; | 99% |
| With bromine In tetrachloromethane for 2h; Heating; | 87% |
| With bromine; dibenzoyl peroxide In chloroform for 3h; Reagent/catalyst; Reflux; | 85% |
- 40945-79-7
1,2-dimethyl-5-acetoxy-1H-indole-3-carboxylic acid ethyl ester
A
- 1312943-26-2
5-acetoxy-6,7-dibromo-2-bromomethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester
B
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With bromine In 1,2-dichloro-ethane at 85℃; for 4h; | A 28% B 20 %Chromat. |
| With bromine In 1,2-dichloro-ethane at 85℃; for 3h; | A 23 %Chromat. B 53 %Chromat. |
- 15574-49-9
mecarbinate
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: pyridine 2: bromine / tetrachloromethane / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: sodium acetate / dichloromethane / 3 h / Reflux 2: hydrogen bromide; dihydrogen peroxide / 1,2-dichloro-ethane / 4.5 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: 4 h / Reflux 2: [RhCl2(p-cymene)]2; N-Bromosuccinimide / water; N,N-dimethyl acetamide / 24 h / 90 °C / Inert atmosphere View Scheme |
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium carbonate; palladium diacetate; copper diacetate / N,N-dimethyl-formamide / 3 h / 80 °C 2: potassium carbonate / N,N-dimethyl-formamide / 6 h / 100 °C 3: dibenzoyl peroxide; bromine / chloroform / 3 h / Reflux View Scheme |
- 20862-91-3
ethyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 100 °C 2: dibenzoyl peroxide; bromine / chloroform / 3 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydride / N,N-dimethyl-formamide / 1.5 h / Inert atmosphere; Cooling with ice 2: bromine / tetrachloromethane / 16 h / Inert atmosphere; Reflux View Scheme |
- 100-02-7
4-nitro-phenol
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: pyridine / acetone / 4 h / 20 °C / Reflux 2: iron; ammonium chloride / ethanol; water / 2 h / Reflux 3: indium(III) bromide / dichloromethane / 3 h / Reflux 4: potassium carbonate; palladium diacetate; copper diacetate / N,N-dimethyl-formamide / 3 h / 80 °C 5: potassium carbonate / N,N-dimethyl-formamide / 6 h / 100 °C 6: dibenzoyl peroxide; bromine / chloroform / 3 h / Reflux View Scheme |
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
- 108-98-5
thiophenol
- 131707-24-9
6-bromo-5-hydroxy-1-methyl-2-phenylthiomethylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 3h; Ambient temperature; | 96.4% |
| Stage #1: thiophenol With sodium hydroxide In methanol for 2h; Stage #2: 5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester In methanol for 3h; | 90.8% |
| Stage #1: 5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester; thiophenol With sodium hydroxide In methanol at 15 - 20℃; for 1h; Stage #2: With acetic acid In methanol; acetone for 1h; Reflux; | 88.6% |
| Conditions | Yield |
|---|---|
| In benzene for 22h; Ambient temperature; | 91.9% |
- 100-02-7
4-nitro-phenol
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
- 135980-83-5
5-Acetoxy-6-bromo-1-methyl-2-(4-nitro-phenoxymethyl)-1H-indole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium hydroxide In acetone for 5h; Heating; | 79.2% |
- 110543-98-1
5-acetoxy-6-bromo-2-bromomethyl-1-methylindole-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide for 0.5h; Ambient temperature; | 77.1% |
Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate Chemical Properties
Molecular structure of Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate (CAS NO.110543-98-1) is:
Product Name: Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
CAS Registry Number: 110543-98-1
IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate
Empirical Formula: C15H15Br2NO4
Molecular Weight: 433.0919
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Surface Tension: 46.1 dyne/cm
Density: 1.67 g/cm3
Flash Point: 274.2 °C
Enthalpy of Vaporization: 80.49 kJ/mol
Boiling Point: 529.8 °C at 760 mmHg
Vapour Pressure: 2.62E-11 mmHg at 25°C
Product Categories: arbidol
Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate Specification
Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate , its cas register number is 110543-98-1. It also can be called 5-acetoxy-6-bromo-2-bromomethyl-1-metyl-indol-3-ethyl carboxylate .
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