(5-Bromopyridin-2-yl)(phenyl)methanone

Base Information

• Chemical Name: (5-Bromopyridin-2-yl)(phenyl)methanone
• CAS No.: 206357-52-0
• Molecular Formula: C₁₂H₈BrNO
• Molecular Weight: 262.106
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90579275
• Nikkaji Number: J1.513.283C
• Wikidata: Q82469762
• Mol file: 206357-52-0.mol

Synonyms:206357-52-0;(5-bromopyridin-2-yl)(phenyl)methanone;(5-Bromo-pyridin-2-yl)-phenyl-methanone;(5-bromopyridin-2-yl)-phenylmethanone;Methanone, (5-bromo-2-pyridinyl)phenyl-;2-benzoyl-5-brompyridine;SCHEMBL256768;DTXSID90579275;MFCD04974526;5-Bromo-2-(2-fluorobenzoyl)pyridine;(5-bromo-2-pyridinyl)-phenylmethanone;AKOS016003443;(5-Bromo-2-pyridinyl)(phenyl)methanone;AS-36913;(5-bromanylpyridin-2-yl)-phenyl-methanone;CS-0171249;A814761;A1-23951

Chemical Property of (5-Bromopyridin-2-yl)(phenyl)methanone

Chemical Property:

• Vapor Pressure: 2.82E-05mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 356.9 °C at 760 mmHg
• Flash Point: 169.7 °C
• PSA: 29.96000
• Density: 1.481 g/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: 226

Purity/Quality:

97% ^*data from raw suppliers

(5-Bromopyridin-2-yl)(phenyl)methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (5-Bromopyridin-2-yl)(phenyl)methanone

There total 11 articles about (5-Bromopyridin-2-yl)(phenyl)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: 85.0%

2-Cyano-5-bromopyridine (97483-77-7) + phenylmagnesium bromide (100-58-3) → (5-bromopyridin-2-yl)(phenyl)methanone (206357-52-0)

Guidance literature:

2-Cyano-5-bromopyridine; phenylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/asia.201801813

Reference yield: 78.0%

carbon monoxide (201230-82-2) + 2-iodo-5-bromopyridine (223463-13-6) + phenylboronic acid (98-80-6) → (5-bromopyridin-2-yl)(phenyl)methanone (206357-52-0)

Guidance literature:

With potassium carbonate; (bis(tricyclohexyl)phosphine)palladium(II) dichloride; In tetrahydrofuran; at 80 ℃; for 24h; under 3750.3 Torr;

DOI:10.1016/S0040-4020(03)00342-9

Reference yield: 77.0%

5-bromo-2-[(phenyl)hydroxymethyl]pyridine (181647-50-7) → (5-bromopyridin-2-yl)(phenyl)methanone (206357-52-0)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 3h;

DOI:10.1002/chem.201302997

upstream raw materials:

2,5-dibromopyridine

carbon monoxide

phenylboronic acid

2-iodo-5-bromopyridine

Downstream raw materials:

[(5-bromopyridin-2-yl)phenylmethylene]hydrazone