4,5-Dimethoxy-1-indanone

Base Information

• Chemical Name: 4,5-Dimethoxy-1-indanone
• CAS No.: 6342-80-9
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2914509090
• European Community (EC) Number: 862-414-5
• NSC Number: 46649
• DSSTox Substance ID: DTXSID00286605
• Nikkaji Number: J1.929.941D
• Wikidata: Q27193576
• ChEMBL ID: CHEMBL1589515
• Mol file: 6342-80-9.mol

Synonyms:4,5-dimethoxy-1-indanone;6342-80-9;4,5-Dimethoxy-2,3-dihydro-1H-inden-1-one;4,5-dimethoxy-2,3-dihydroinden-1-one;MFCD00463187;4,5-dimethoxyindan-1-one;1H-Inden-1-one, 2,3-dihydro-4,5-dimethoxy-;NSC46649;4,5-dimethoxyindanone;4, 5-dimethoxy-1-indanone;MLS000549093;SCHEMBL354324;CHEMBL1589515;DTXSID00286605;CHEBI:113112;HMS2382N18;4,5-Dimethoxy-1-indanone, 97%;AM1116;NSC 46649;NSC-46649;AKOS010641422;CS-W015815;AC-23394;AS-64433;SMR000114165;2,3-dihydro4,5-dimethoxy-1H-inden-1-one;FT-0655315;2,3-dihydro-4,5-dimethoxy-1H-Inden-1-one;EN300-123346;F52811;A834372;AG-205/33132027;SR-01000508186;SR-01000508186-1;Q27193576

Chemical Property of 4,5-Dimethoxy-1-indanone

Chemical Property:

• Appearance/Colour: white to yellow powder, crystals,crystalline powder and/or chunks
• Vapor Pressure: 4.44E-05mmHg at 25°C
• Melting Point: 73-77 °C(lit.)
• Refractive Index: 1.549
• Boiling Point: 350.3 °C at 760 mmHg
• Flash Point: 156.9 °C
• PSA: 35.53000
• Density: 1.179 g/cm³
• LogP: 1.83270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dimethoxy-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C(=O)CC2)OC
• Uses: 4,5-Dimethoxy-1-indanone acts as a reagent for the preparation of thiosemicarbazones derived from 1-indanone as new anti-trypanosoma cruzi agents.

Technology Process of 4,5-Dimethoxy-1-indanone

There total 8 articles about 4,5-Dimethoxy-1-indanone 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: 95.0%

2,3-dimethoxyhydrocinnamic acid (10538-48-4) → 4,5-dimethoxyindanone (6342-80-9)

Guidance literature:

With polyphosohoric acid; for 0.166667h;

DOI:10.1139/v82-385

Reference yield: 64.0%

5-(2,3-dimethoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (848610-54-8) → 4,5-dimethoxyindanone (6342-80-9)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In nitromethane; at 100 ℃; for 1.33333h;

DOI:10.1021/jo0483724

Reference yield:

trans-2,3-dimethoxycinnamic acid (7345-82-6) → 4,5-dimethoxyindanone (6342-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / Pd/C / ethyl acetate / 2 h / 45 °C / 2585.74 Torr

2: 92 percent / polyphosphoric acid / 1.25 h / 70 °C

With PPA; hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1081/SCC-100104420

upstream raw materials:

2,3-dimethoxyhydrocinnamic acid

3-(2,3-dimethoxyphenyl)propionyl chloride

malonic acid

2,3-dimethyoxybenzaldehyde

Downstream raw materials:

2-bromo-4,5-dimethoxy-2,3-dihydro-1H-inden-1-one

4,5-dimethoxyindan-1-ol

aniline

4,5-dimethoxy-2-inden-1-one