(5-Bromopyridin-3-yl)(phenyl)methanone

Base Information

• Chemical Name: (5-Bromopyridin-3-yl)(phenyl)methanone
• CAS No.: 59105-50-9
• Molecular Formula: C12H8BrNO
• Molecular Weight: 262.106
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60355326
• Nikkaji Number: J2.428.678I
• Wikidata: Q82134142
• ChEMBL ID: CHEMBL1531039
• Mol file: 59105-50-9.mol

Synonyms:(5-bromopyridin-3-yl)(phenyl)methanone;59105-50-9;(5-bromopyridin-3-yl)-phenylmethanone;MLS000052940;3-benzoyl-5-bromopyridine;5-bromo-3-benzoylpyridine;Cambridge id 5110209;Oprea1_096641;SCHEMBL2952630;CHEMBL1531039;DTXSID60355326;JBMAMZKKOFXEDT-UHFFFAOYSA-N;HMS1577C08;HMS2366A04;MFCD00452964;STK833063;AKOS005623216;SDCCGMLS-0034906.P002;(5-bromo-3-pyridinyl)(phenyl)methanone;DS-15985;Methanone, (5-bromo-3-pyridinyl)phenyl-;SMR000068963;CS-0156562;FT-0768250;O10124;AB00073915-01;A869284;SR-01000195667;SR-01000195667-1

Chemical Property of (5-Bromopyridin-3-yl)(phenyl)methanone

Chemical Property:

• PSA: 29.96000
• LogP: 3.07510
• Storage Temp.: Inert atmosphere,Room Temperature
• 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-3-yl)(phenyl)methanone 95+% ^*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=CC(=CN=C2)Br

Technology Process of (5-Bromopyridin-3-yl)(phenyl)methanone

There total 8 articles about (5-Bromopyridin-3-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: 62.0%

3-bromo-5-iodopyridine (233770-01-9) + tert-butyl benzoyl(tert-butoxycarbonyl)carbamate (135364-97-5) → (5-bromopyridin-3-yl)(phenyl)methanone (59105-50-9)

Guidance literature:

3-bromo-5-iodopyridine; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 0.833333h; Inert atmosphere; Schlenk technique;

tert-butyl benzoyl(tert-butoxycarbonyl)carbamate; In tetrahydrofuran; at -20 - 20 ℃; for 2.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201904678

Reference yield: 61.0%

phenylmagnesium bromide (100-58-3) + N-methyl-N-methoxy-5-bromopyridine-3-carboxamide (183608-47-1) → (5-bromopyridin-3-yl)(phenyl)methanone (59105-50-9)

Guidance literature:

In tetrahydrofuran; at -20 - 20 ℃; for 5h; Inert atmosphere;

Reference yield:

phenyllithium (591-51-5) + N-methyl-N-methoxy-5-bromopyridine-3-carboxamide (183608-47-1) → (5-bromopyridin-3-yl)(phenyl)methanone (59105-50-9)

Guidance literature:

phenyllithium; N-methyl-N-methoxy-5-bromopyridine-3-carboxamide; In tetrahydrofuran; hexane; at 0 ℃; for 3.5h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; pH=1;

upstream raw materials:

5-bromonicotinoyl chloride

benzene

phenyllithium

N-methyl-N-methoxy-5-bromopyridine-3-carboxamide

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