6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 6238-96-6

Catalog:	BB031569
Product Name:	6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	6238-96-6
Synonyms:	6-tert-butyl-4H-1,4-benzoxazin-3-one; 6-tert-butyl-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-tert-butyl-4H-1,4-benzoxazin-3-one
Description:	6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 6238-96-6) is a useful research chemical.
Molecular Weight:	205.25
Molecular Formula:	C12H15NO2
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2
InChI:	InChI=1S/C12H15NO2/c1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h4-6H,7H2,1-3H3,(H,13,14)
InChI Key:	RBEMVEIJGYOVMA-UHFFFAOYSA-N
Boiling Point:	344.7 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD03830266
LogP:	2.45300

Publication Number	Title	Priority Date
US-2020039989-A1	Small molecule inhibitors of dyrk/clk and uses thereof	20180301
US-2020325154-A1	Antibacterial biaromatic derivatives with oxetane-3-yloxy substitution	20160414
US-10570090-B2	Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20160215
US-2017233340-A1	Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20160215
US-2018079720-A1	Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20160215

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[1780907-91-6]
5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[148890-63-5]
5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one
[5735-53-5]
3,4-Dihydro-2H-1,4-benzoxazine

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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.110278721
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.110278721
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5