Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)-

Base Information

• Chemical Name: Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)-
• CAS No.: 40061-64-1
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.23200
• DSSTox Substance ID: DTXSID20607459
• Mol file: 40061-64-1.mol

Synonyms:40061-64-1;Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)-;2-Hydroxy-2-phenyl-1-(pyridin-3-yl)ethan-1-one;2-hydroxy-2-phenyl-1-pyridin-3-ylethanone;SCHEMBL11065543;DTXSID20607459;JGMRGMPTBNKPRU-UHFFFAOYSA-N;3-pyridyl alpha-hydroxybenzyl ketone

Chemical Property of Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)-

Chemical Property:

• PSA: 50.19000
• LogP: 1.99790
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)-

There total 4 articles about Ethanone, 2-hydroxy-2-phenyl-1-(3-pyridinyl)- 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:

2-bromo-2-phenyl-1-(pyridin-3-yl)-ethanone hydrobromide (67947-67-5) → 2-hydroxy-2-phenyl-1-[3]pyridyl-ethanone (40061-64-1)

Guidance literature:

With potassium acetate; In hydrogenchloride; acetic anhydride;

Reference yield:

2-phenyl-1-(pyridin-3-yl)ethanone (14627-92-0) + 2-bromo-2-phenyl-1-(pyridin-3-yl)-ethanone hydrobromide (67947-67-5) → 2-hydroxy-2-phenyl-1-[3]pyridyl-ethanone (40061-64-1)

Guidance literature:

With bromine; sodium ethanolate; In ethanol; acetic acid;

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + 3-phenyl-propionaldehyde (104-53-0) → 2-hydroxy-2-phenyl-1-[3]pyridyl-ethanone (40061-64-1) + 1,6-diphenyl-4-hydroxyhexan-3-one (79186-29-1) + 1-(3-pyridyl)-1-hydroxy-4-phenylbutan-2-one (1609526-00-2)

Guidance literature:

With 2-(perfluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-ium tetrafluoroborate; 1,1'-(1,2-ethanediyl)bisbenzene; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 70 ℃; for 2h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/ja501772m

upstream raw materials:

nicotinic anhydride

N-acetyl-α-phenylglycine

2-phenyl-1-(pyridin-3-yl)ethanone

2-bromo-2-phenyl-1-(pyridin-3-yl)-ethanone hydrobromide

Downstream raw materials:

4-phenyl-5-pyridin-3-yl-1,3-dihydro-imidazole-2-thione