Ethyl 6-phenylpicolinate

Base Information

• Chemical Name: Ethyl 6-phenylpicolinate
• CAS No.: 107771-78-8
• Molecular Formula: C14H13NO2
• Molecular Weight: 227.263
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50565139
• Nikkaji Number: J371.425J
• Wikidata: Q82450087
• Mol file: 107771-78-8.mol

Synonyms:Ethyl 6-phenylpicolinate;107771-78-8;ethyl 6-phenylpyridine-2-carboxylate;6-Phenylpyridine-2-carboxylic acid ethyl ester;Ethyl6-phenylpicolinate;DTXSID50565139;MFCD13181703;BS-49750;CS-0151744;D96471

Chemical Property of Ethyl 6-phenylpicolinate

Chemical Property:

• Melting Point: 50-57 °C
• Boiling Point: 384.7±30.0 °C(Predicted)
• PKA: 1.44±0.10(Predicted)
• PSA: 39.19000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 2.92530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Ethyl6-phenylpicolinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC(=N1)C2=CC=CC=C2

Technology Process of Ethyl 6-phenylpicolinate

There total 18 articles about Ethyl 6-phenylpicolinate 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: 93.0%

→ Ethyl 6-Phenyl-2-pyridinecarboxylate (107771-78-8)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride; In 1,2-dimethoxyethane; at 80 ℃; Schlenk technique; Inert atmosphere;

Reference yield: 58.0%

ethyl 2-allyl-3-phenyl-2H-azirine-2-carboxylate (1615240-36-2) → Ethyl 6-Phenyl-2-pyridinecarboxylate (107771-78-8) + 2-phenylpyridine-3-carboxylic acid ethyl ester (144501-28-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In chlorobenzene; at 130 ℃; Inert atmosphere;

DOI:10.1021/ol501010k

Reference yield: 53.0%

Ethyl 5-(2-Oxo-2-phenylethyl)-2-isoxazoline-3-carboxylate (134370-36-8) → Ethyl 6-Phenyl-2-pyridinecarboxylate (107771-78-8)

Guidance literature:

With tetrafluoroboric acid; hydrogen; nickel; In ethanol; for 16h; under 760 Torr; Ambient temperature;

DOI:10.1246/bcsj.64.375

upstream raw materials:

6-phenyl-pyridine-2-carbonitrile

Ethyl 5-(2-Oxo-2-phenylethyl)-2-isoxazoline-3-carboxylate

1-Phenyl-3-buten-1-ol

5-(2-Hydroxy-2-phenyl-ethyl)-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester

Downstream raw materials:

methyl(2-phenylpyridin-6-yl)-methanone

6-phenyl-pyridine-2-carboxylic acid