Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
• CAS No.: 23019-62-7
• Molecular Formula: C15H19NO2
• Molecular Weight: 245.321
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80354957
• Wikidata: Q72472977
• ChEMBL ID: CHEMBL1616250
• Mol file: 23019-62-7.mol

Synonyms:ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate;23019-62-7;ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;SCHEMBL5778817;CHEMBL1616250;DTXSID80354957;HPBHOJNKSYJCRT-UHFFFAOYSA-N;ethyl 1-(phenylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylate;AKOS000649884;FT-0646044;A816491;J-014941;ethyl1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate;1-(phenylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid ethyl ester

Chemical Property of Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate

Chemical Property:

• Vapor Pressure: 6.78E-05mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 344 °C at 760 mmHg
• Flash Point: 121.4 °C
• PSA: 29.54000
• Density: 1.108 g/cm³
• LogP: 2.31970
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 245.141578849
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CCN(CC1)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate

There total 3 articles about Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-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: 97.0%

isonicotinic acid ethylester (1570-45-2) + benzyl bromide (100-39-0) → ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate (23019-62-7)

Guidance literature:

isonicotinic acid ethylester; benzyl bromide; In ethanol; at 80 ℃; for 1h;

With sodium tetrahydroborate; In ethanol; water; at 0 - 20 ℃;

DOI:10.7164/antibiotics.55.722

Reference yield: 82.0%

1-benzyl-4-(ethoxycarbonyl)pyridin-1-ium bromide (23019-61-6) → ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate (23019-62-7)

Guidance literature:

With tetrahydroxydiboron; potassium tert-butylate; water; In methanol; at 60 ℃; for 8h; Inert atmosphere;

DOI:10.1039/d1ob00300c

Reference yield:

→ ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate (23019-62-7)

Guidance literature:

/BRN= 58262/, NaBH3CN;

DOI:10.1055/s-1979-28648

upstream raw materials:

isonicotinic acid ethylester

benzyl bromide

1-benzyl-4-(ethoxycarbonyl)pyridin-1-ium bromide

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