Methyl 2-Oxoindoline-6-carboxylate - CAS 14192-26-8

Name: Methyl 2-Oxoindoline-6-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009273
Product Name:	Methyl 2-Oxoindoline-6-carboxylate
CAS:	14192-26-8
Synonyms:	Methyl Oxindole-6-carboxylate; 2-Oxo-6-indolinecarboxylic Acid Methyl Ester; 6-(Methoxycarbonyl)-2-indolone; 1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester; 6-Indolinecarboxylic acid, 2-oxo-, methyl ester; 2-Oxo-2,3-Dihydro-1H-indole-6-carboxylic acid methyl ester; Methyl 2-oxoindoline-6-carboxylate

Technical Data

IUPAC Name:	methyl 2-oxo-1,3-dihydroindole-6-carboxylate
Description:	An impurity of Nintedanib. Nintedanib is a receptor tyrosine kinase (RTK) inhibitor that binds to vascular endothelial growth factor receptor, fibroblast growth factor receptor, and platelet-derived growth factor receptor. Nintedanib is used as a medication for the treatment of idiopathic pulmonary fibrosis.
Molecular Weight:	191.18
Molecular Formula:	C10H9NO3
Canonical SMILES:	COC(=O)C1=CC2=C(CC(=O)N2)C=C1
InChI:	InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	YFTGUNWFFVDLNM-UHFFFAOYSA-N
Boiling Point:	388.1±42.0°C at 760 mmHg
Melting Point:	209-211°C
Purity:	≥95%
Density:	1.283±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at -20°C
MDL:	MFCD03095196
LogP:	1.10580

GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021130731-A1	Substituted tricyclic compounds	20191227
WO-2020256721-A1	Antib0dy-alk5 inhibitor conjugates and their uses	20190619
WO-2020256751-A1	Antib0dy-alk5 inhibitor conjugates and their uses	20190619
CN-111662223-A	Process for producing indolinone derivative and intermediate thereof	20190308
WO-2020013803-A1	Antibody-alk5 inhibitor conjugates and their uses	20180709

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.058243149
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6