Pyridine, 1-benzoyl-1,2,3,4-tetrahydro-

Base Information

• Chemical Name: Pyridine, 1-benzoyl-1,2,3,4-tetrahydro-
• CAS No.: 50838-24-9
• Molecular Formula: C12H13NO
• Molecular Weight: 187.241
• DSSTox Substance ID: DTXSID80198873
• Nikkaji Number: J558.317I
• Wikidata: Q83071730
• Mol file: 50838-24-9.mol

Synonyms:Pyridine, 1-benzoyl-1,2,3,4-tetrahydro-;50838-24-9;Pyridine,1-benzoyl-1,2,3,4-tetrahyro-;SCHEMBL15756104;DTXSID80198873;Pyridine,1-benzoyl-1,2,3,4-tetrahydro-

Chemical Property of Pyridine, 1-benzoyl-1,2,3,4-tetrahydro-

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Boiling Point: 325.4°Cat760mmHg
• Flash Point: 149.3°C
• Density: 1.115g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CN(C1)C(=O)C2=CC=CC=C2

Technology Process of Pyridine, 1-benzoyl-1,2,3,4-tetrahydro-

There total 13 articles about Pyridine, 1-benzoyl-1,2,3,4-tetrahydro- 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: 98.0%

(2-iodophenyl)(piperidin-1-yl)methanone (100073-02-7) → (3,4-dihydropyridin-1(2H)-yl)(phenyl)methanone (50838-24-9)

Guidance literature:

With 1-(diphenylphosphino)ferrocene-1-(di-tert-butylphosphino)ferrocene; palladium diacetate; caesium carbonate; In benzene; at 20 - 37 ℃; regioselective reaction; Inert atmosphere; Glovebox; Photolysis;

DOI:10.1021/jacs.8b00488

Reference yield: 84.0%

(2-methoxypiperidin-1-yl)(phenyl)methanone (63050-19-1) → (3,4-dihydropyridin-1(2H)-yl)(phenyl)methanone (50838-24-9)

Guidance literature:

With ammonium chloride; Heating;

DOI:10.1016/j.tetlet.2004.09.036

Reference yield: 76.0%

(5,6-dihydropyridin-1(2H)-yl)(phenyl)methanone (71785-91-6) → (3,4-dihydropyridin-1(2H)-yl)(phenyl)methanone (50838-24-9)

Guidance literature:

With triethylamine; palladium on activated charcoal; In tetrahydrofuran; at 125 ℃; for 5h;

DOI:10.1002/ardp.19933261006

upstream raw materials:

(5,6-dihydropyridin-1(2H)-yl)(phenyl)methanone

(2-methoxypiperidin-1-yl)(phenyl)methanone

1,2,3,6-tetrahydropyridine

benzoyl chloride

Downstream raw materials:

1-benzoyl-3,4-didehydro-2-methoxypiperidine

phenyl-5-phenyl-3,4-dihydropyridine-1(2H)-carboxylate

(2RS)-1-benzoylpiperidine-2-carbonitrile

ethyl 2-(1-benzoyl-3,4-dihydro-2H-pyridin-5-yl)-2,2-difluoroacetate

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