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ETHYL INDOLE-2-ACETATE

ETHYL INDOLE-2-ACETATE structure

CAS No:
33588-64-6
Formula:
C12H13NO2
Chemical Name:
ETHYL INDOLE-2-ACETATE
Synonyms:
ETHYL INDOLE-2-ACETATE;ETHYL 1H-INDOL-2-YLACETATE;Ethyl2-indoleacetate;2-(1-ethyl-1H-indol-2-yl)acetate;Ethyl 2-(1H-indol-2-yl)acetate;Indol-2-ylacetic acid ethyl ester;Ethyl 2-(1H-indol-2-yl)acetateW5526;Ethyl indole-2-acetate1H-indole-2-acetic acid, ethyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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ETHYL INDOLE-2-ACETATE Basic Attributes

Molecular Weight：

203.23712

Exact Mass：

203.094635

EC Number：

1312995-182-4

DSSTox ID：

DTXSID90455404

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

2.3

Density：

1.2±0.1 g/cm3

Melting Point：

28-31℃

Boiling Point：

353.4ºC at 760mmHg

Flash Point：

167.5±20.9 °C

Refractive Index：

1.607

ETHYL INDOLE-2-ACETATE Use and Manufacturing

General procedure: In a 4.0mL glass vial equipped with a stirring bar, were added the corresponding xanthate (0.2mmol, 2.0 equiv.), the radical acceptor (0.1mmol, 1.0 equiv.) (alkene 2 or 5; or heterocycle 10-12), Ir(ppy)3 (0.002mmol, 0.02 equiv.) and DMF (0.4mL, [0.25M]). Next, the resulting solution was degassed by three consecutive freeze-pump-thaw cycles and placed under argon atmosphere. Finally, the reaction mixture was stirred and irradiated in a Blue LEDs reactor (12W) at 24C during 12-14h. After that, the mixture was concentrated in vacuo and the product was purified by flash column chromatography on silica gel.

Computed Properties

Molecular Weight:203.24
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:42.1
Heavy Atom Count:15
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl2-(1H-indol-2-yl)acetate

CAS No.: 33588-64-6

Grade: Industrial Grade

Content: 99%

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