Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
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Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
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CAS No:
110543-98-1
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Formula:
C15H15Br2NO4
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Chemical Name:
Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
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Synonyms:
1H-Indole-3-carboxylic acid,5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-,ethyl ester;Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
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CAS No:
Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate Basic Attributes
433.09
433.09
686-772-5
DTXSID30149294
2933990090
Characteristics
57.5
3.3
white crystalline power
1.67±0.1 g/cm3(Predicted)
168-171 °C @ Solvent: Carbon tetrachloride
529.8±50.0 °C(Predicted)
274.2±30.1 °C
1.611
2.62E-11mmHg at 25°C
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory.
Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate Use and Manufacturing
A mixture of 137.6 g of ethyl 5-acetoxy-1, 2-dimethylindole-3-carboxylate (4.5 mol)Was added to 1000 mL of chloroform, Stirring to dissolve, A catalytic amount of benzoyl peroxide was added, Heating reflux, 64.0 mL of liquid bromine (200 g, 1.25 mol) was added dropwise, Drop complete, continue refluxing reaction 3h, The reaction solution was cooled in an ice-Filter cake, washed with a small amount of methanol, The solid was dried, 184.0 g of ethyl 1-methyl-2- (bromomethyl) -5-acetoxy-6-bromoindole-3-carboxylate (3) was obtained in a yield of 85.0percent.
Computed Properties
Molecular Weight:433.09
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:432.93473
Monoisotopic Mass:430.93678
Topological Polar Surface Area:57.5
Heavy Atom Count:22
Complexity:434
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate
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