2-(2-Phenylethyl)pyridine

Base Information

• Chemical Name: 2-(2-Phenylethyl)pyridine
• CAS No.: 2116-62-3
• Molecular Formula: C13H13 N
• Molecular Weight: 183.253
• Hs Code.: 2933399090
• European Community (EC) Number: 218-318-5
• NSC Number: 42666
• UNII: G24Q87676A
• DSSTox Substance ID: DTXSID0062187
• Nikkaji Number: J123.996A
• Wikidata: Q81989895
• ChEMBL ID: CHEMBL1189564
• Mol file: 2116-62-3.mol

Synonyms:2-(2-Phenylethyl)pyridine;2-Phenethylpyridine;2116-62-3;Pyridine, 2-(2-phenylethyl)-;Pyridine, 2-phenethyl-;2-Picoline, alpha-benzyl-;2-Picoline, .alpha.-benzyl-;MLS002608432;NSC-42666;Phenethyl pyridine;NSC42666;2-phenethyl-pyridine;starbld0033543;EC-000.1813;SCHEMBL1760766;CHEMBL1189564;DTXSID0062187;HMS3092B23;CAA11662;EINECS 218-318-5;NSC 42666;AKOS000279046;G24Q87676A;SMR001527181;CS-0224149;EN300-1179863

Chemical Property of 2-(2-Phenylethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0142mmHg at 25°C
• Melting Point: -1.5°C
• Refractive Index: 1.5963 (estimate)
• Boiling Point: 266.5°Cat760mmHg
• PKA: 5.61±0.12(Predicted)
• Flash Point: 106.1°C
• PSA: 12.89000
• Density: 1.04g/cm³
• LogP: 2.86680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 183.104799419
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2-(2-PHENYLETHYL)PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=CC=N2

Technology Process of 2-(2-Phenylethyl)pyridine

There total 45 articles about 2-(2-Phenylethyl)pyridine 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%

5-bromo-2-(2-phenylethynyl)pyridine (111770-84-4) → 2-(2-phenylethyl)pyridine (2116-62-3)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol;

DOI:10.1021/jo00237a029

Reference yield: 84.0%

2-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) + phenylboronic acid (98-80-6) → 2-(2-phenylethyl)pyridine (2116-62-3)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; sodium carbonate; disodium P-phenyl-3,3'-phosphinediyl-bis(benzenesulfonate); sodium dodecyl-sulfate; at 80 ℃; for 6h;

DOI:10.1021/ja010402m

Reference yield: 78.0%

2-[(E)-2-phenylethenyl]pyridine (538-49-8) → 2-(2-phenylethyl)pyridine (2116-62-3)

Guidance literature:

2-[(E)-2-phenylethenyl]pyridine; With sodium; In tetrahydrofuran; at 0 ℃; for 12h;

With water; In tetrahydrofuran; cooling;

DOI:10.1016/j.tet.2005.06.108

upstream raw materials:

α-picoline

methyllithium

benzyl potassium

benzyl alcohol

Downstream raw materials:

2-phenethyl-pyridine-1-oxide

2-[(E)-2-phenylethenyl]pyridine

1-phenyl-2-pyridin-2-yl-ethanol

2-styrylpyridine

Refernces

• 1、 Wang, Xiaoming,Yu, Da-Gang,Glorius, Frank. "CpRhIII-Catalyzed Arylation of C(sp3) Bonds". . p. 10280 - 10283. Retrieved 2015.
• 2、 Phillips. "-". . p. 622,631. Retrieved 1948.
• 3、 Aso, Koki,Hara, Naofumi,Li, Qiao-Zhi,Nakao, Yoshiaki,Sakaki, Shigeyoshi. "C2-selective alkylation of pyridines by rhodium–aluminum complexes". supporting information. . Retrieved 2021/08/06.
• 4、 Banerjee, Debasis,Bera, Sourajit,Kabadwal, Lalit Mohan. "Iron-catalysed alkylation of 2-methyl and 4-methyl azaarenes with alcoholsviaC-H bond activation". supporting information. p. 4777 - 4780. Retrieved 2020/05/13.