2,2-Dimethyl-2,3-dihydrobenzofuran - CAS 6337-33-3

Catalog:	BB032120
Product Name:	2,2-Dimethyl-2,3-dihydrobenzofuran
CAS:	6337-33-3
Synonyms:	2,2-dimethyl-3H-benzofuran; 2,2-dimethyl-3H-1-benzofuran

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethyl-3H-1-benzofuran
Description:	2,2-Dimethyl-2,3-dihydrobenzofuran (CAS# 6337-33-3) is used as a reagent in the preparation of heteroaryl compounds as kynurenine-3-monooxygenase inhibitors for treatment of neurodegenerative disorders.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC1(CC2=CC=CC=C2O1)C
InChI:	InChI=1S/C10H12O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6H,7H2,1-2H3
InChI Key:	UJMGZPCKYHBCKU-UHFFFAOYSA-N
Boiling Point:	202.2 °C at 760 mmHg
Density:	1.001 g/cm³
MDL:	MFCD12028054
LogP:	2.40010

Publication Number	Title	Priority Date
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
WO-2019025467-A1	SELECTIVE INHIBITORS OF INFLAMMASOME NLRP3	20170731
EP-3402796-A1	6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS	20160115
US-10590128-B2	6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands	20160115
US-2019047997-A1	6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS	20160115

PMID	Publication Date	Title	Journal
21523021	20110112	Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate	Acta crystallographica. Section E, Structure reports online

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5