3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl-

Base Information

• Chemical Name: 3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl-
• CAS No.: 93287-10-6
• Molecular Formula: C13H11BrN2O
• Molecular Weight: 291.1432
• DSSTox Substance ID: DTXSID50239363
• Wikidata: Q83121709

Synonyms:BRN 4444237;3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl-;93287-10-6;N-(4-Bromophenyl)-2-methyl-3-pyridinecarboxamide;DTXSID50239363;AKOS017387255;LS-130558

Chemical Property of 3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl-

Chemical Property:

• Vapor Pressure: 0.000188mmHg at 25°C
• Melting Point: 137-139 °C
• Boiling Point: 328.6°Cat760mmHg
• PKA: 11.46±0.70(Predicted)
• Flash Point: 152.5°C
• PSA: 41.99000
• Density: 1.5g/cm³
• LogP: 3.47780
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 290.00548
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Br

Technology Process of 3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl-

There total 1 articles about 3-Pyridinecarboxamide, N-(4-bromophenyl)-2-methyl- 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:

ethyl 2-methyl nicotinate (1721-26-2) + 4-bromo-aniline (106-40-1) → N-(4-Bromo-phenyl)-2-methyl-nicotinamide (93287-10-6)

Guidance literature:

With ethylmagnesium bromide; Yield given. Multistep reaction; 1.) ether, 2.) ether, heating, 30 min;

DOI:10.1007/BF00770447

Reference yield: 95.0%

N-(4-Bromo-phenyl)-2-methyl-nicotinamide (93287-10-6) + α-bromoacetophenone (70-11-1) → 3-(4-Bromo-phenylcarbamoyl)-2-methyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium; bromide (97303-59-8)

Guidance literature:

In acetone; for 6h; Heating;

DOI:10.1007/BF00770447

Reference yield: 60.0%

N-(4-Bromo-phenyl)-2-methyl-nicotinamide (93287-10-6) + benzaldehyde (100-52-7) → N-(4-Bromo-phenyl)-2-((E)-styryl)-nicotinamide (93286-99-8)

Guidance literature:

With benzoyl chloride; In N,N-dimethyl-formamide; at 155 ℃; for 5h;

DOI:10.1007/BF00508672

upstream raw materials:

ethyl 2-methyl nicotinate

4-bromo-aniline

Downstream raw materials:

N-(4-Bromo-phenyl)-2-((E)-styryl)-nicotinamide

3-(4-Bromo-phenylcarbamoyl)-2-methyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium; bromide

2-Phenyl-indolizine-8-carboxylic acid (4-bromo-phenyl)-amide

6-(4-bromophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-1,6-naphthrydines

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