5-Bromo-N-phenylnicotinamide

Base Information

• Chemical Name: 5-Bromo-N-phenylnicotinamide
• CAS No.: 313562-28-6
• Molecular Formula: C12H9BrN2O
• Molecular Weight: 277.12
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL4280000
• DSSTox Substance ID: DTXSID00401452
• Wikidata: Q82204563
• Mol file: 313562-28-6.mol

Synonyms:5-BROMO-N-PHENYLNICOTINAMIDE;313562-28-6;5-bromo-N-phenylpyridine-3-carboxamide;SCHEMBL485711;CHEMBL4280000;DTXSID00401452;OLCNIPQERCZMGP-UHFFFAOYSA-N;MFCD00806104;AKOS001315202;BS-28284;CS-0450891;Z27782734

Chemical Property of 5-Bromo-N-phenylnicotinamide

Chemical Property:

• Boiling Point: 314.0±27.0 °C(Predicted)
• PKA: 11.57±0.70(Predicted)
• PSA: 41.99000
• Density: 1.559±0.06 g/cm3(Predicted)
• LogP: 3.16940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.98983
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-N-phenylnicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br

Technology Process of 5-Bromo-N-phenylnicotinamide

There total 3 articles about 5-Bromo-N-phenylnicotinamide 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: 95.0%

→ 5-bromo-N-phenylnicotinamide (313562-28-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h; Inert atmosphere;

With water; sodium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 16h;

Reference yield: 18.0%

5-bromonicotinoyl chloride (39620-02-5) + aniline (62-53-3) → 5-bromo-N-phenylnicotinamide (313562-28-6)

Guidance literature:

With pyridine; dmap; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

Reference yield:

5-bromo-3-pyridinecarboxylic acid (20826-04-4) + aniline (62-53-3) → 5-bromo-N-phenylnicotinamide (313562-28-6)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

5-bromonicotinoyl chloride

aniline

5-bromo-3-pyridinecarboxylic acid

Downstream raw materials:

5-bromo-N-phenyl-2-(5-phenylthiophen-2-yl)nicotinamide

Refernces

• 1、 -. "NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF". Paragraph 0583; 0584. . Retrieved 2018/09/08.