4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one
• CAS No.: 16718-42-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID20597467
• Wikidata: Q82493013
• Mol file: 16718-42-6.mol

Synonyms:4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one;16718-42-6;4,5,6-TRIMETHOXY-2,3-DIHYDROINDEN-1-ONE;1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-;4,5,6-TRIMETHOXY-INDANONE;4,5,6-trimethoxyindanone;4,5,6-trimethoxyindan-1-one;SCHEMBL6113045;DTXSID20597467;WAYMAQYXINVUDB-UHFFFAOYSA-N;AKOS010641425;DS-3914;DB-331824;CS-0150630;F52183;A882266

Chemical Property of 4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one

Chemical Property:

• PSA: 44.76000
• LogP: 1.84130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

4,5,6-Trimethoxy-2,3-dihydro-1H-inden-1-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2CCC(=O)C2=C1)OC)OC

Technology Process of 4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-one

There total 6 articles about 4,5,6-trimethoxy-2,3-dihydro-1H-inden-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: 98.0%

3-(2,3,4-trimethoxy-phenyl)-propionic acid (33130-04-0) → 4,5,6-trimethoxy-1-indanone (16718-42-6)

Guidance literature:

With methanesulfonic acid; phosphorus pentoxide; at 50 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.202101508

Reference yield:

trans-2,3,4-trimethoxycinnamic acid (116406-19-0) → 4,5,6-trimethoxy-1-indanone (16718-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / palladium 10% on activated carbon / methanol / 24 h

2: methanesulfonic acid; phosphorus pentoxide / 12 h / Inert atmosphere

With methanesulfonic acid; phosphorus pentoxide; hydrogen; palladium 10% on activated carbon; In methanol;

Reference yield:

2,3,4-trimethoxybenzaldehyde (2103-57-3) → 4,5,6-trimethoxy-1-indanone (16718-42-6)

Guidance literature:

Multi-step reaction with 3 steps

1: piperidine; pyridine

2: hydrogen; palladium on activated charcoal / methanol / 4 h / 50 °C / 9000.9 Torr

3: phosphorus pentoxide; methanesulfonic acid / 1 h / 50 °C

With piperidine; pyridine; methanesulfonic acid; phosphorus pentoxide; palladium on activated charcoal; hydrogen; In methanol; 1: |Knoevenagel Condensation;

DOI:10.1039/c5ra14888j

upstream raw materials:

3-(2,3,4-trimethoxy-phenyl)-propionic acid

N,N-Dimethylacrylamide

1,2,3-trimethoxybenzene

trans-2,3,4-trimethoxycinnamic acid

Downstream raw materials:

4,5,6-trimethoxy-1-oxo-indan-2-carbonitrile

(+/-)-4,5,6-trimethoxy-N-((S)-1-phenethyl)-2,3-dihydroindene-1-carboxamide

(S)-(-)-N-(((S)-4,5,6-trimethoxyindan-1-yl)methyl)-1-phenethylamine

4,5,6-trimethoxyindan-1-carboxylic acid