4-(6-Formylpyridin-2-yl)benzonitrile

Base Information

• Chemical Name: 4-(6-Formylpyridin-2-yl)benzonitrile
• CAS No.: 834884-79-6
• Molecular Formula: C13H8N2O
• Molecular Weight: 208.219
• Hs Code.: 2933399090
• European Community (EC) Number: 623-169-8
• DSSTox Substance ID: DTXSID30584626
• Wikidata: Q82476307
• Mol file: 834884-79-6.mol

Synonyms:4-(6-Formylpyridin-2-yl)benzonitrile;834884-79-6;4-(6-FORMYL-(PYRIDIN-2-YL))-BENZONITRILE;SCHEMBL303840;DTXSID30584626;PPAQGUBYGPCPLW-UHFFFAOYSA-N;MFCD07368905;AKOS015960170;6-(4-Cyanophenyl)pyridine-2-carbaldehyde;4-(6-Formylpyridin-2-yl)benzonitrile, 97%;G66843

Chemical Property of 4-(6-Formylpyridin-2-yl)benzonitrile

Chemical Property:

• Vapor Pressure: 1.51E-06mmHg at 25°C
• Melting Point: 159-163oC(lit.)
• Boiling Point: 398.1oC at 760 mmHg
• Flash Point: 194.6oC
• PSA: 53.75000
• Density: 1.25g/cm3
• LogP: 2.43278
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.063662883
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

4-(6-Formylpyridin-2-yl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(6-Formylpyridin-2-yl)benzonitrile

There total 1 articles about 4-(6-Formylpyridin-2-yl)benzonitrile 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: 60.0%

6-bromo-2-pyridinecarbaldehyde (34160-40-2) + 4-cyanophenylboronic acid (126747-14-6) → 2-(4-cyanophenyl)pyridine-6-carboxaldehyde (834884-79-6)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; water; toluene; at 80 ℃;

Reference yield: 97.0%

2-(4-cyanophenyl)pyridine-6-carboxaldehyde (834884-79-6) + p-xylylidenediamine (539-48-0) → C34H24N6 (1433897-05-2)

Guidance literature:

In methanol; for 4h; Reflux;

DOI:10.1021/om400187v

Reference yield: 90.0%

2-(4-cyanophenyl)pyridine-6-carboxaldehyde (834884-79-6) + ethyl 2,4-diketopentanoate (615-79-2) + N-Methylurea (598-50-5) → C21H20N4O3

Guidance literature:

With chloro-trimethyl-silane; In acetonitrile; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1039/c4cc10074c

upstream raw materials:

6-bromo-2-pyridinecarbaldehyde

4-cyanophenylboronic acid

Downstream raw materials:

2-(5-cyanobenzimidazol-2-yl)-6-(4-cyanophenyl)pyridine

C₃₄H₂₄N₆

C₂₇H₂₂N₄O₅

Refernces

• 1、 -. "NOVEL AMIDINE COMPOUNDS FOR TREATING MICROBIAL INFECTIONS". Page/Page column 42. . Retrieved 2010/02/11.