3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile

Base Information

• Chemical Name: 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile
• CAS No.: 474024-38-9
• Molecular Formula: C₁₃H₉NO₂
• Molecular Weight: 211.22
• European Community (EC) Number: 610-344-9
• DSSTox Substance ID: DTXSID10431467
• Nikkaji Number: J2.572.739H
• Wikidata: Q82245360
• Mol file: 474024-38-9.mol

Synonyms:474024-38-9;3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile;3-(1,3-DIOXOLAN-2-YLIDENE)-3H-INDENE-1-CARBONITRILE;SCHEMBL4960379;DTXSID10431467;LOFHCHIYFDFUNK-UHFFFAOYSA-N;AKOS015966255;1-(1,3-Dioxolane-2-ylidene)-1H-indene-3-carbonitrile

Chemical Property of 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.063328530
• Heavy Atom Count: 16
• Complexity: 405

Purity/Quality:

99.9% ^*data from raw suppliers

3-(1,3-DIOXOLAN-2-YLIDENE)-3H-INDENE-1-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC(=C2C=C(C3=CC=CC=C32)C#N)O1

Technology Process of 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile

There total 3 articles about 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile 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: 77.0%

ethyl 3-ethoxyacrylate (5941-55-9) + 2-(2-bromophenyl)acetonitrile (19472-74-3) + ethylene glycol (107-21-1) → 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile (474024-38-9)

Guidance literature:

ethyl 3-ethoxyacrylate; 2-(2-bromophenyl)acetonitrile; With sodium t-butanolate; tricyclohexylphosphine; palladium diacetate; In tetrahydrofuran; at 60 ℃; for 2.5h;

ethylene glycol; With sulfuric acid; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1021/ol049316s

Reference yield:

C13H12BrNO2 + ethylene glycol (107-21-1) → 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile (474024-38-9)

Guidance literature:

C₁₃H₁₂BrNO₂; ethylene glycol; In tetrahydrofuran; at 5 ℃;

With sulfuric acid; In water; at 10 - 40 ℃; for 12.5h;

Reference yield:

ethyl 3-ethoxyacrylate (5941-55-9) + 2-(2-bromophenyl)acetonitrile (19472-74-3) + palladium diacetate (3375-31-3) + tricyclohexylphosphine (2622-14-2) → 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile (474024-38-9)

Guidance literature:

With sulfuric acid; sodium t-butanolate; In tetrahydrofuran; ethylene glycol;

upstream raw materials:

ethyl 3-ethoxyacrylate

2-(2-bromophenyl)acetonitrile

ethylene glycol

palladium diacetate

Downstream raw materials:

methyl 3-(aminomethyl)indan-1-carboxylate

1,5-methano-2,3,4,5-tetrahydro-1H-3-benzazepine p-toluenesulfonic acid salt

1,5-methano-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine

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