6-Bromo-2-oxindole - CAS 99365-40-9

Catalog:	BB042282
Product Name:	6-Bromo-2-oxindole
CAS:	99365-40-9
Synonyms:	6-bromo-1,3-dihydroindol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-1,3-dihydroindol-2-one
Description:	An indolinone derivative used for the preparation of p38α inhibitors as potential antiinflammatories.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	C1C2=C(C=C(C=C2)Br)NC1=O
InChI:	InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChI Key:	JARRYVQFBQVOBE-UHFFFAOYSA-N
Boiling Point:	343.6 °C at 760 mmHg
Melting Point:	217-221 °C
Purity:	95 %
Density:	1.666 g/cm³
Appearance:	Light yelllow crystal
MDL:	MFCD02179605
LogP:	2.08170

Publication Number	Title	Priority Date
WO-2021130731-A1	Substituted tricyclic compounds	20191227
WO-2021003339-A1	Amp-activated protein kinase inhibitors and methods of making and using the same	20190703
KR-20200145076-A	Method for preparing indoleninone and method for preparing indirubin derivatives through the synthesis of indoleninone	20190620
WO-2020192652-A1	Preparation method for amide compounds and use thereof in medical field	20190325
CN-113330008-A	Preparation method of amide compound and application of amide compound in field of medicine	20190325

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Indoles

[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[496-12-8]
Isoindoline
[34572-17-3]
3-(7-Methyl-3-indolyl)-1-propanamine

GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9