2-Bromo-4,6-diphenylnicotinonitrile

Base Information

• Chemical Name: 2-Bromo-4,6-diphenylnicotinonitrile
• CAS No.: 82127-26-2
• Molecular Formula: C18H11BrN2
• Molecular Weight: 335.203
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80355949
• Wikidata: Q72455189
• ChEMBL ID: CHEMBL1430051
• Mol file: 82127-26-2.mol

Synonyms:2-Bromo-4,6-diphenylnicotinonitrile;82127-26-2;2-bromo-4,6-diphenylpyridine-3-carbonitrile;2-Bromo-4,6-diphenyl-nicotinonitrile;MLS000561403;CHEMBL1430051;DTXSID80355949;HMS2576C06;STL252824;AKOS000675163;2-bromo-3-cyano-4,6-diphenylpyridine;SMR000175530;CS-0326345;3-Pyridinecarbonitrile, 2-bromo-4,6-diphenyl-;A864453;SR-01000508051;SR-01000508051-1

Chemical Property of 2-Bromo-4,6-diphenylnicotinonitrile

Chemical Property:

• Melting Point: 166-167 °C(Solv: 1-butanol (71-36-3))
• Boiling Point: 467.658 °C at 760 mmHg
• PKA: -3.32±0.18(Predicted)
• Flash Point: 236.631 °C
• PSA: 36.68000
• Density: 1.488 g/cm³
• LogP: 5.04978
• Storage Temp.: 2-8°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 334.01056
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4,6-diphenylnicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)Br)C3=CC=CC=C3

Technology Process of 2-Bromo-4,6-diphenylnicotinonitrile

There total 8 articles about 2-Bromo-4,6-diphenylnicotinonitrile 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: 92.0%

3-benzoyl-1-bromo-2-phenyl-1,1-dicyanopropane (94360-09-5) → 2-bromo-4,6-diphenylpyridine-3-carbonitrile (82127-26-2)

Guidance literature:

In acetic acid; for 2h; Heating;

Reference yield: 85.0%

4,6-diphenyl-2-methoxypyridine-3-carbonitrile (60847-68-9) → 2-bromo-4,6-diphenylpyridine-3-carbonitrile (82127-26-2)

Guidance literature:

With phosphoric acid; Pyridine hydrobromide; phosphorus(V) oxybromide; In 1,4-dioxane; for 48h; Heating;

Reference yield: 37.0%

2,2'-bis(3-cyano-4,6-diphenylpyridyl) disulfide (78564-24-6) → 2-bromo-4,6-diphenylpyridine-3-carbonitrile (82127-26-2)

Guidance literature:

With bromine; In chloroform; at 20 ℃; for 2h;

DOI:10.1007/BF00503559

upstream raw materials:

2-(3-oxo-1,3-diphenylpropyl)malononitrile

4,6-diphenyl-2-methoxypyridine-3-carbonitrile

3-benzoyl-1-bromo-2-phenyl-1,1-dicyanopropane

2,2'-bis(3-cyano-4,6-diphenylpyridyl) disulfide

Downstream raw materials:

3-cyano-4,6-diphenyl-2-fluoropyridine

2-oxo-4,6-diphenyl-1,2-dihydropyridine-3-carbonitrile

2,2'-bis(3-cyano-4,6-diphenylpyridyl) disulfide

2-Ethylsulfanyl-4,6-diphenyl-nicotinonitrile

Refernces

• 1、 Shestopalov, A. M.,Promonenkov, V. K.,Sharanin, Yu. A.,Rodinovskaya, L. A.,Sharanin, S. Yu.. "CYCLIZATION OF NITRILES. IX. SYNTHESES BASED ON 2-ARYL-3-AROYL-1,1-DICYANOPROPANES". . p. 1382 - 1401. Retrieved 2007/10/02.
• 2、 Krauze, A. A.,Bomika, Z. A.,Pelcher, Yu. E.,Mazheika, I. B.,Dubur, G. Ya.. "SYNTHESIS OF 3-OXOISOTHIAZOLOPYRIDINES". . p. 385 - 390. Retrieved 2007/10/02.