(3-Bromophenyl)(pyridin-3-yl)methanone

Base Information

• Chemical Name: (3-Bromophenyl)(pyridin-3-yl)methanone
• CAS No.: 79362-44-0
• Molecular Formula: C12H8 Br N O
• Molecular Weight: 262.1
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10513237
• Wikidata: Q82372930
• Mol file: 79362-44-0.mol

Synonyms:(3-Bromophenyl)(pyridin-3-yl)methanone;79362-44-0;3-(3-BROMOBENZOYL)PYRIDINE;(3-bromophenyl)-pyridin-3-ylmethanone;SCHEMBL11140196;DTXSID10513237

Chemical Property of (3-Bromophenyl)(pyridin-3-yl)methanone

Chemical Property:

• Vapor Pressure: 5.46E-06mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 380.4°C at 760 mmHg
• Flash Point: 183.9°C
• PSA: 29.96000
• Density: 1.481g/cm³
• LogP: 3.07510
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.97893
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

(3-Bromophenyl)(pyridin-3-yl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Bromophenyl)(pyridin-3-yl)methanone

There total 4 articles about (3-Bromophenyl)(pyridin-3-yl)methanone 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: 60.0%

3-Bromopyridine (626-55-1,163928-56-1) + N-methoxy-N-methyl-3-bromobenzamide (207681-67-2) → (3-bromophenyl)(pyridin-3-yl)methanone (79362-44-0)

Guidance literature:

3-Bromopyridine; With n-butyllithium; In diethyl ether; hexane; at -70 ℃; for 1.5h; Inert atmosphere; Cooling with acetone-dry ice;

N-methoxy-N-methyl-3-bromobenzamide; In tetrahydrofuran; diethyl ether; hexane; at -70 - 20 ℃; for 4.5h; Inert atmosphere; Cooling with acetone-dry ice;

DOI:10.1021/jm2015809

Reference yield: 41.0%

(3-bromophenyl)(3-pyridyl)methanol (89667-08-3) → (3-bromophenyl)(pyridin-3-yl)methanone (79362-44-0)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.bmcl.2010.09.026

Reference yield: 30.0%

3-Benzoylpyridine (5424-19-1) → (3-bromophenyl)(pyridin-3-yl)methanone (79362-44-0)

Guidance literature:

With aluminium trichloride; bromine; at 80 ℃; for 4h;

DOI:10.1021/jm00144a025

upstream raw materials:

3-Benzoylpyridine

(3-bromophenyl)(3-pyridyl)methanol

3-Bromopyridine

N-methoxy-N-methyl-3-bromobenzamide

Downstream raw materials:

1-(3-Bromo-phenyl)-1-pyridin-3-yl-prop-2-en-1-ol

(E)-7-(3-Bromo-phenyl)-7-pyridin-3-yl-hept-6-enoic acid

[(Z)-3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine

C₁₃H₁₁BrN₄S