6-(4-Formylphenyl)nicotinonitrile

Base Information

• Chemical Name: 6-(4-Formylphenyl)nicotinonitrile
• CAS No.: 851340-81-3
• Molecular Formula: C13H8 N2 O
• Molecular Weight: 208.219
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10594703
• Wikidata: Q82489610
• Mol file: 851340-81-3.mol

Synonyms:6-(4-Formylphenyl)nicotinonitrile;851340-81-3;6-(4-formylphenyl)pyridine-3-carbonitrile;SCHEMBL6061184;DTXSID10594703;QHBXHUMKKRNYKM-UHFFFAOYSA-N;6-(4-Formylphenyl)-nicotinonitrile;BJB34081;MFCD08276960;AKOS005069728;DA-36817;6-(4-formylphenyl)nicotinonitrile, AldrichCPR;A863690;12Z-0702;J-518026

Chemical Property of 6-(4-Formylphenyl)nicotinonitrile

Chemical Property:

• Melting Point: 200-202°
• PSA: 53.75000
• LogP: 2.43278
• XLogP3: 1.7
• 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:

98%min ^*data from raw suppliers

6-(4-Formylphenyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C2=NC=C(C=C2)C#N

Technology Process of 6-(4-Formylphenyl)nicotinonitrile

There total 2 articles about 6-(4-Formylphenyl)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: 88.8%

→ 6-(4-formylphenyl)nicotinonitrile (851340-81-3)

Guidance literature:

Reference yield: 82.0%

6-chloronicotinonitrile (33252-28-7) + 4-formylphenylboronic acid, (87199-17-5) → 6-(4-formylphenyl)nicotinonitrile (851340-81-3)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; water; toluene; at 80 ℃; for 12h;

DOI:10.1016/j.bmc.2005.07.024

Reference yield: 91.0%

6-(4-formylphenyl)nicotinonitrile (851340-81-3) + 4-cyano-1,2-phenylenediamine (17626-40-3) → 2-[4-(5-cyanopyridin-2-yl)phenyl]-1H-benzimidazole-5-carbonitrile (851340-82-4)

Guidance literature:

With sodium hydrogensulfite; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/j.bmc.2005.07.024

upstream raw materials:

6-chloronicotinonitrile

4-formylphenylboronic acid,

Downstream raw materials:

2-[4-(5-cyanopyridin-2-yl)phenyl]-1H-benzimidazole-5-carbonitrile

2-{4-[5-(N-hydroxyamidino)pyridin-2-yl]phenyl}-1H-benzimidazole-5-N-hydroxyamidine

Refernces

• 1、 Ismail, Mohamed A.,Batista-Parra, Adalgisa,Miao, Yi,Wilson, W. David,Wenzler, Tanja,Brun, Reto,Boykin, David W.. "Dicationic near-linear biphenyl benzimidazole derivatives as DNA-targeted antiprotozoal agents". . p. 6718 - 6726. Retrieved 2007/10/03.