5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one

Base Information

• Chemical Name: 5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one
• CAS No.: 4803-57-0
• Molecular Formula: C17H17NO3
• Molecular Weight: 283.327
• Hs Code.: 2933399090
• UNII: 6J7IV2Z5L0
• Wikidata: Q27264987
• Mol file: 4803-57-0.mol

Synonyms:4803-57-0;DPMI;5,6-DIMETHOXY-2-(PYRIDIN-4-YLMETHYL)INDAN-1-ONE;5,6-dimethoxy-2-(4-pyridylmethyl)-1-indanone;UNII-6J7IV2Z5L0;5,6-DIMETHOXY-2-PYRIDIN-4-YLMETHYL-INDAN-1-ONE;6J7IV2Z5L0;5,6-dimethoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one;1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethyl)-;5,6-Dimethoxy-2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one;1-Indanone, 5,6-dimethoxy-2-(4-pyridylmethyl)-;(+/-)-5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one;5,6-Dimethoxy-2-[(4-pyridyl)methyl]indan-1-one;2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethyl)-1H-inden-1-one;5,6-Dimethoxy-2-(4-pyridylmethyl)-1-indanone;Donepezil Hydrochloride Impurity D;Donepezil Impurity D;AC-1340;SCHEMBL1114939;RGPDMDJBVKHZFW-UHFFFAOYSA-N;AMY38956;MFCD09030792;AKOS015964176;CS-T-53345;SY248491;CS-0452861;FT-0667243;5,6-dimethoxy-2-(4-pyridyl)methyl-1-indanone;5,6-dimethoxy-2-(4-pyridyl)methyl-indan-1-one;4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]pyridine;Q27264987;DONEPEZIL HYDROCHLORIDE IMPURITY D [EP IMPURITY];2,3-dihydro-5,6-dimethoxy-2-((pyridin-4-yl)methyl)inden-1-one;DONEPEZIL HYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY]

Chemical Property of 5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 190-191℃
• Boiling Point: 474.965oC at 760 mmHg
• PKA: 5.74±0.10(Predicted)
• Flash Point: 241.05oC
• PSA: 48.42000
• Density: 1.208g/cm3
• LogP: 2.69650
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly, Heated)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dimethoxy-2-(4-pyridylmethyl)-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=NC=C3)OC
• Uses: Donepezil (D531750) impurity.

Technology Process of 5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one

There total 2 articles about 5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

(E)-5, 6-dimethoxy-2-(pyridin-4-ylmethylene)-2, 3-dihydro-1H-inden-1-one (877606-65-0) → 2-(pyridin-4-yl)methyl-5,6-dimethoxy-1-indanone (4803-57-0) + debenzyldonepezil (120014-30-4)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; at 60 - 65 ℃; for 7h;

DOI:10.1080/00397910500334231

Reference yield:

2,3-dihydro-5,6-dimethoxy-2-((pyridin-4-yl)methylene)inden-1-one p-toluenesulfonic acid salt (851385-19-8) → 2,3-dihydro-5,6-dimethoxy-2-((piperidin-4-yl)methyl)inden-1-one p-toluenesulfonic acid salt + 2-(pyridin-4-yl)methyl-5,6-dimethoxy-1-indanone (4803-57-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; at 20 ℃; for 10.5h; under 760.051 Torr;

Reference yield: 100.0%

2-(pyridin-4-yl)methyl-5,6-dimethoxy-1-indanone (4803-57-0) + toluene-4-sulfonic acid (104-15-4) → 2,3-dihydro-5,6-dimethoxy-2-((piperidin-4-yl)methyl)inden-1-one p-toluenesulfonic acid salt

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; at 20 ℃; for 6h; under 760.051 Torr; Product distribution / selectivity;

upstream raw materials:

(E)-5, 6-dimethoxy-2-(pyridin-4-ylmethylene)-2, 3-dihydro-1H-inden-1-one

2,3-dihydro-5,6-dimethoxy-2-((pyridin-4-yl)methylene)inden-1-one p-toluenesulfonic acid salt

Downstream raw materials:

(±)-2-[(1-benzylpyridin-1-ium-4-yl)methyl]-5,6-dimethoxy-indan-1-one bromide

debenzyldonepezil

4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]pyridine N-oxide

1-benzyl-4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2 yl)methyl)pyridinium iodide