Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo-

Base Information

• Chemical Name: Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo-
• CAS No.: 180537-75-1
• Molecular Formula: C₁₅H₁₀Br₂N₂O₃
• Molecular Weight: 426.064
• DSSTox Substance ID: DTXSID30170982
• Wikidata: Q83041005
• Mol file: 180537-75-1.mol

Synonyms:180537-75-1;Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo-;4-Bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxobenzenebutanamide;C15H10Br2N2O3;DTXSID30170982;C15-H10-Br2-N2-O3;LS-29240

Chemical Property of Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo-

Chemical Property:

• PKA: 5.44±0.25(Predicted)
• PSA: 76.13000
• Density: 1.792g/cm³
• LogP: 3.46020
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 425.90377
• Heavy Atom Count: 22
• Complexity: 437

Purity/Quality:

4-BROMO-N-(5-BROMO-2-PYRIDINYL)-ALPHA,GAMMA-DIOXO-BENZENEBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=C(C=C2)Br)Br

Technology Process of Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo-

There total 1 articles about Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-alpha,gamma-dioxo- 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: 82.0%

5-bromo-2-pyridylamine (1072-97-5) + 5-(4-bromo-phenyl)-furan-2,3-dione (55991-70-3) → 4-(4-bromo-phenyl)-N-(5-bromo-pyridin-2-yl)-2,4-dioxo-butyramide (180537-75-1)

Guidance literature:

In 1,4-dioxane; at 20 ℃;

DOI:10.1007/BF02333975

Reference yield: 22.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-(4-bromo-phenyl)-N-(5-bromo-pyridin-2-yl)-2,4-dioxo-butyramide (180537-75-1) → 4-(4-bromophenyl)-2-methoxy-4-oxobut-2-enoic acid N-(5-bromo-2-pyridyl)amide

Guidance literature:

In diethyl ether; toluene; at 0 - 25 ℃;

DOI:10.1134/S1070428008050138

upstream raw materials:

5-bromo-2-pyridylamine

5-(4-bromo-phenyl)-furan-2,3-dione

Refernces