5-Methoxy-2-methylindole
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5-Methoxy-2-methylindole
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CAS No:
1076-74-0
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Formula:
C10H11NO
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Chemical Name:
5-Methoxy-2-methylindole
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Synonyms:
1H-Indole,5-methoxy-2-methyl-;Indole,5-methoxy-2-methyl-;5-Methoxy-2-methyl-1H-indole;2-Methyl-5-methoxyindole;5-Methoxy-2-methylindole;NSC 63817
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CAS No:
Description
white to light beige crystalline powder or5-methoxy-2-methylindole is a useful organic raw material. It can be used as the reactant in the preparation of indolylquinoxalines by condensation reactions, in preparation of alkylindoles via Ir-catalyzed reductive alkylation, in arylation reactions in the presence of a palladium acetate catalyst, in enantioselective Friedel-Crafts alkylation, as well as in stereo selective synthesis of cyclopentaindolones via stereoselective [3+2] cyclopentannulation
Characteristics
25
2
white to light beige crystalline powder
1.0840 (rough estimate)
89-90 °C
140-145 °C @ Press: 0.9-1.5 Torr
113.1±12.6 °C
1.5200 (estimate)
soluble in methanol (very faint turbidity.)
0-6ºC
0.00123mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
R36/37/38
37/39-26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Methoxy-2-methylindole Use and Manufacturing
An indole derivative shown to be an effective inhibitor of the chlorinating activity of myeloperoxidase (MPO). Used in the metabolic synthesis of arylacetic acid antiinflammatory synthesis. reactant in preparation of indolylquinoxalines by condensation reactions1reactant in preparation of alkylindoles via Ir-catalyzed reductive alkylation2reactant in arylation reactions using a palladium acetate catalyst3reactant in enantioselective Friedel-Crafts alkylation4reactant in stereoselective synthesi
Computed Properties
Molecular Weight:161.20
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:25
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
