2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-

Base Information

• Chemical Name: 2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-
• CAS No.: 647826-69-5
• Molecular Formula: C₁₀H₁₃BrN₂O
• Molecular Weight: 257.13
• DSSTox Substance ID: DTXSID10451387
• Nikkaji Number: J1.944.666B
• Mol file: 647826-69-5.mol

Synonyms:647826-69-5;2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-;5-bromo-N-(tert-butyl)picolinamide;5-bromo-N-tert-butylpyridine-2-carboxamide;SCHEMBL13388549;5-Bromo-N-(t-butyl)picolinamide;DTXSID10451387;CSHMSFDZSULBAW-UHFFFAOYSA-N;MFCD17259445;AKOS012251813;N-tert-Butyl-5-bromo-2-pyridinecarboxamide;CS-0191867;E91350;5-bromo-pyridine-2-carboxylic acid tert-butylamide

Chemical Property of 2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-

Chemical Property:

• PSA: 41.99000
• LogP: 2.76330
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.02113
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-N-(tert-butyl)picolinamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-

There total 2 articles about 2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)- 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%

5-bromoisonicotinic acid (30766-11-1) + tert-butylamine (75-64-9) → 5-bromo-pyridine-2-carboxylic acid tert-butylamide (647826-69-5)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; at 20 ℃; for 16h;

Reference yield:

2,5-dibromopyridine (624-28-2) + Tert-butyl isocyanate (1609-86-5) → 5-bromo-pyridine-2-carboxylic acid tert-butylamide (647826-69-5)

Guidance literature:

2,5-dibromopyridine; With n-butyllithium; In toluene; at -78 ℃; for 2h;

Tert-butyl isocyanate; In toluene; at -78 ℃; for 1h;

DOI:10.1081/SCC-120023985

upstream raw materials:

2,5-dibromopyridine

Tert-butyl isocyanate

5-bromoisonicotinic acid

tert-butylamine