2-Cyano-5,6-dimethoxy-indan-1-one

Base Information

• Chemical Name: 2-Cyano-5,6-dimethoxy-indan-1-one
• CAS No.: 106648-24-2
• Molecular Formula: C12H11NO3
• Molecular Weight: 217.224
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40603150
• Mol file: 106648-24-2.mol

Synonyms:106648-24-2;5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carbonitrile;2,3-DIHYDRO-5,6-DIMETHOXY-1-OXO-1H-INDENE-2-CARBONITRILE;2-Cyano-5,6-dimethoxy-indan-1-one;SCHEMBL10709419;DTXSID40603150;CAPLSGGIIBXDGD-UHFFFAOYSA-N;5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonitrile

Chemical Property of 2-Cyano-5,6-dimethoxy-indan-1-one

Chemical Property:

• PSA: 59.32000
• LogP: 1.58238
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CC(C2=O)C#N)OC

Technology Process of 2-Cyano-5,6-dimethoxy-indan-1-one

There total 6 articles about 2-Cyano-5,6-dimethoxy-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: 74.3%

2-cyano-3-(3,4-dimethoxyphenyl)propionic acid (55502-61-9) → 5,6-dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonitrile (106648-24-2)

Guidance literature:

With polyphosphoric acid; at 80 ℃; for 2h;

Reference yield:

2-bromo-5,6-dimethoxy-1-indanone (2747-08-2) → 5,6-dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonitrile (106648-24-2)

Guidance literature:

In ethanol; water;

Reference yield:

2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid (86213-20-9) → 5,6-dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonitrile (106648-24-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; palladium on activated charcoal / tetrahydrofuran / 5 h / 20 °C

2: polyphosphoric acid / 2 h / 80 °C

With palladium on activated charcoal; hydrogen; In tetrahydrofuran;

upstream raw materials:

ethanol

2-bromo-5,6-dimethoxy-1-indanone

potassium cyanide

2-cyano-3-(3,4-dimethoxyphenyl)propionic acid

Downstream raw materials:

5,6-(dimethoxy)-2-(ethoxycarbonyl)-indan-1-one

5,6-dimethoxy-1-indanone