benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Base Information

• Chemical Name: benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
• CAS No.: 248919-73-5
• Molecular Formula: C16H19NO3
• Molecular Weight: 273.33
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70446557
• Nikkaji Number: J1.327.904G
• Mol file: 248919-73-5.mol

Synonyms:248919-73-5;benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate;Benzyl 4-oxo-2-propan-2-yl-2,3-dihydropyridine-1-carboxylate;SCHEMBL13634009;DTXSID70446557;Benzyl2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate;AKOS016014163;BENZYL 2-ISO-PROPYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE;FT-0769164;A850632;J-519776;1-(Benzyloxycarbonyl)-2-isopropyl-1,2,3,4-tetrahydropyridine-4-one;Benzyl?2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate;Benzyl 4-oxo-2-(propan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate;BENZYL2-ISO-PROPYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE

Chemical Property of benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Chemical Property:

• PSA: 46.61000
• LogP: 3.07420
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 273.13649347
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

97% ^*data from raw suppliers

Benzyl2-iso-propyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CC(=O)C=CN1C(=O)OCC2=CC=CC=C2

Technology Process of benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

There total 3 articles about benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 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:

4-methoxypyridine (620-08-6,1232006-56-2) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (248919-73-5)

Guidance literature:

With copper(l) chloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1002/anie.200904981

Reference yield:

4-methoxypyridine (620-08-6,1232006-56-2) + diisopropyl zinc (625-81-0) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (1204587-62-1,248919-73-5) + benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (248919-73-5)

Guidance literature:

4-methoxypyridine; benzyl chloroformate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

diisopropyl zinc; With C₂₅H₂₂NO₂P; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; hexane; at -78 ℃; for 16h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1002/anie.200904981

Reference yield:

4-methoxypyridine (620-08-6,1232006-56-2) + diisopropyl zinc (625-81-0) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (1204587-62-1,248919-73-5) + benzyl 2-isopropyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (248919-73-5)

Guidance literature:

4-methoxypyridine; benzyl chloroformate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

diisopropyl zinc; With C₂₅H₂₂NO₂P; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; hexane; at -78 ℃; for 16h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1002/anie.200904981

upstream raw materials:

4-methoxypyridine

benzyl chloroformate

diisopropyl zinc

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