6-(2-Furyl)nicotinonitrile

Base Information

• Chemical Name: 6-(2-Furyl)nicotinonitrile
• CAS No.: 619334-28-0
• Molecular Formula: C10H6N2O
• Molecular Weight: 170.16744
• European Community (EC) Number: 664-166-1
• DSSTox Substance ID: DTXSID50455728
• Wikidata: Q82277842
• Mol file: 619334-28-0.mol

Synonyms:6-(2-furyl)nicotinonitrile;619334-28-0;6-(furan-2-yl)pyridine-3-carbonitrile;6-(furan-2-yl)nicotinonitrile;SCHEMBL4352935;DTXSID50455728;MLVPTQAKBGAZLS-UHFFFAOYSA-N;MFCD09025879;AKOS006283499;CCG-358174;MS-22089;FT-0713668;EN300-239892;F2167-2465

Chemical Property of 6-(2-Furyl)nicotinonitrile

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 114 °C
• Refractive Index: 1.6
• Boiling Point: 306.234°C at 760 mmHg
• PKA: 0.91±0.22(Predicted)
• Flash Point: 139.005°C
• Density: 1.256g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.048012819
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

6-(furan-2-yl)pyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=NC=C(C=C2)C#N

Technology Process of 6-(2-Furyl)nicotinonitrile

There total 2 articles about 6-(2-Furyl)nicotinonitrile 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: 80.6%

6-chloronicotinonitrile (33252-28-7) + 2-(tributylstannyl)furan (118486-94-5) → 6-(furan-2-yl)nicotinonitrile (619334-28-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 100 - 110 ℃; for 24h;

DOI:10.1021/jm0302602

Reference yield:

2-(tributylstannyl)furan (118486-94-5) + 2-bromo-5-cyanopyridine (139585-70-9) → 6-(furan-2-yl)nicotinonitrile (619334-28-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b01448

Reference yield: 61.0%

4-bromobenzonitrile-d4 (771534-56-6) + 6-(furan-2-yl)nicotinonitrile (619334-28-0) → C17H5(2)H4N3O (771534-57-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.1002/jlcr.817

upstream raw materials:

6-chloronicotinonitrile

2-(tributylstannyl)furan

2-bromo-5-cyanopyridine

Downstream raw materials:

C₁₇H₅⁽²⁾H₄N₃O

6-[5-(3-cyano-phenyl)-furan-2-yl]-nicotinonitrile

6-[5-(4-cyano-phenyl)-furan-2-yl]-nicotinonitrile

6-[5-(4-cyanobenzyl)furan-2-yl]nicotinonitrile