Methylindolyl-3-glyoxylate
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Methylindolyl-3-glyoxylate
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CAS No:
18372-22-0
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Formula:
C11H9NO3
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Chemical Name:
Methylindolyl-3-glyoxylate
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Synonyms:
α-Oxo-1H-indole-3-acetic Acid Methyl Ester;1H-Indole-3-acetic acid, α-oxo-, Methyl ester;Methyl 2-(indol-3-yl)-2-oxoacetate;Methyl Indol-3-Glyoxylate;Methyl 3-indoleglyoxylate 98%;(1H-Indol-3-yl)-oxo-acetic acid methyl ester;2-(1H-indol-3-yl)-2-keto-acetic acid methyl ester;2-(1H-indol-3-yl)-2-oxoacetic acid methyl ester
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CAS No:
Characteristics
59.16000
1.52360
Pale yellow fine powder
1.324±0.06 g/cm3
227-230 °C (lit.)
383.2±15.0 °C(Predicted)
185.6ºC
1.635
4.46E-06mmHg at 25°C
14.54±0.30
Safety Information
IRRITANT
3
36/37/38
26-36
Xi
P261; P305 + P351 + P338
H315; H319; H335
|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 194 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methylindolyl-3-glyoxylate Use and Manufacturing
Reactant for preparation of sotrastaurin analogs as protein kinase inhibitors 1 Reactant for synthesis of GSK-3 inhibitors 2 Reactant for Diels-Alder cycloaddition 3 Reactant for preparation of a Janus kinase 3 inhibitor 4 Reactant for synthesis of cephalandole alkaloids 5 Reactant for stereoselective preparation of COX-2 inhibitor as anticancer agent 6 Reactant for synthesis of cycloalkene indole carbazole alkaloids via ring-closing metathesis.
Computed Properties
Molecular Weight:203.19
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:203.058243149
Monoisotopic Mass:203.058243149
Topological Polar Surface Area:59.2
Heavy Atom Count:15
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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