Ethyl Indole-2-carboxylate - CAS 3770-50-1

Catalog:	BB023395
Product Name:	Ethyl Indole-2-carboxylate
CAS:	3770-50-1
Synonyms:	1H-indole-2-carboxylic acid ethyl ester; ethyl 1H-indole-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 1H-indole-2-carboxylate
Description:	Ethyl Indole-2-carboxylate (CAS# 3770-50-1) is a building block that has been used as a reactant for the preparation of pyridazinoindole derivatives that have antimicrobial activities.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CCOC(=O)C1=CC2=CC=CC=C2N1
InChI:	InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
InChI Key:	QQXQAEWRSVZPJM-UHFFFAOYSA-N
Boiling Point:	342.4 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD00005609
LogP:	2.34460

Publication Number	Title	Priority Date
CN-113292603-A	Metal complex, organic electroluminescent device and application thereof	20210520
CN-113024554-A	Preparation method of rumepilone intermediate	20210324
CN-111153850-A	Indole compound, preparation method thereof, pharmaceutical composition and application	20200117
CN-111153850-B	Indole compound, preparation method thereof, pharmaceutical composition and application	20200117
WO-2021143936-A1	Indole compounds, preparation method therefor, and pharmaceutical composition and use thereof	20200117

PMID	Publication Date	Title	Journal
20653231	20100501	Synthesis and pharmacological evaluation of novel substituted and unsubstituted N-(benzoylphenyl)-1H-indole-2-carboxamides as potent antihypertriglyceridemic agents	Zeitschrift fur Naturforschung. C, Journal of biosciences
20479983	20100421	Synthesis of the marine pyrroloiminoquinone alkaloids, discorhabdins	Marine drugs
19762009	20091102	New cell wall glycopolymers of the representatives of the genus Kribbella	Carbohydrate research
18007541	20051231	Cyclization of free radicals at the C-7 position of ethyl indole-2-carboxylate derivatives: an entry to a new class of Duocarmycin Analogues	Molecules (Basel, Switzerland)
12773052	20030605	Novel indolyl aryl sulfones active against HIV-1 carrying NNRTI resistance mutations: synthesis and SAR studies	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2