5,6-Dimethoxy-2-(4-pyridylmethylene)-1-indanone - CAS 4803-74-1
Catalog: |
BB026451 |
Product Name: |
5,6-Dimethoxy-2-(4-pyridylmethylene)-1-indanone |
CAS: |
4803-74-1 |
Synonyms: |
2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-1H-inden-1-one; Donepezil Impurity; 5,6-Dimethoxy-2-(pyridine-4-yl)methylene-indan-1-one; 5,6-Dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1H-inden-1-one; (E)-5,6-dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydroinden-1-one; Donepezil Pyridine Dehydro Impurity |
Application: |
An impurity of Donepezil. |
IUPAC Name: | (2E)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one |
Description: | 5,6-Dimethoxy-2-(4-pyridylmethylene)-1-indanone is one of Donepezil impurities. Donepezil, a highly specific reversible acetylcholinesterase (AChE) inhibitor, is used to treat moderate to severe Alzheimer's disease. |
Molecular Weight: | 281.31 |
Molecular Formula: | C17H15NO3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)CC(=CC3=CC=NC=C3)C2=O)OC |
InChI: | InChI=1S/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3/b13-7+ |
InChI Key: | SUVQWDLUAIFZKM-NTUHNPAUSA-N |
Boiling Point: | 499.9±45.0 ℃ (Predicted) |
Melting Point: | 201-203 ℃ |
Purity: | > 98 % |
Density: | 1.255 g/cm3 (Predicted) |
Solubility: | Slightly soluble in Chloroform, Methanol |
Appearance: | Yellow solid |
Storage: | 2-8 ℃ |
LogP: | 2.92120 |
Publication Number | Title | Priority Date |
US-2014128613-A1 | A process for preparation of intermediates of donepezil hydrochloride | 20110325 |
US-2009069378-A1 | Deuterium-enriched donepezil | 20070912 |
US-2008306271-A1 | Novel Process for Production of Highly Pure Polymorph (I) Donepezil Hydrochloride | 20051220 |
US-2007135644-A1 | Process for making donepezil | 20051118 |
US-2009137812-A1 | Process for producing 1-benzyl-4-[5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine or its salt thereof via novel intermediate | 20041230 |
PMID | Publication Date | Title | Journal |
21588957 | 20101009 | (E)-5,6-Dimeth-oxy-2-(pyridin-4-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 281.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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