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 |
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 ℃ 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 |
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 |
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