5-Methyl-2-phenylpyridine

Base Information

• Chemical Name: 5-Methyl-2-phenylpyridine
• CAS No.: 27012-22-2
• Molecular Formula: C12H11 N
• Molecular Weight: 169.226
• Hs Code.: 2933399090
• European Community (EC) Number: 248-163-9
• DSSTox Substance ID: DTXSID00949783
• Nikkaji Number: J308.433G
• Wikidata: Q82927719
• Mol file: 27012-22-2.mol

Synonyms:5-Methyl-2-phenylpyridine;27012-22-2;5-METHYL-2-PHENYL-PYRIDINE;2-phenyl-5-methylpyridine;EINECS 248-163-9;MFCD04114180;64828-54-2;Pyridine, 5-methyl-2-phenyl-;6-phenyl-3-picoline;3-methyl-6-phenylpyridine;2-phenyl-5-methyl pyridine;5-methyl-2-(phenyl)pyridine;SCHEMBL404433;DTXSID00949783;CBA01222;AKOS006292124;DS-7491;SY100654;CS-0085797;FT-0692777;M2969;C74402;A877050

Chemical Property of 5-Methyl-2-phenylpyridine

Chemical Property:

• Vapor Pressure: 0.00422mmHg at 25°C
• Melting Point: 53.0 to 57.0 °C
• Boiling Point: 287.7°Cat760mmHg
• PKA: 4.73±0.10(Predicted)
• Flash Point: 121.1°C
• PSA: 12.89000
• Density: 1.03g/cm³
• LogP: 3.05700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.089149355
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methyl-2-phenylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CN=C(C=C1)C2=CC=CC=C2

Technology Process of 5-Methyl-2-phenylpyridine

There total 54 articles about 5-Methyl-2-phenylpyridine 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: 100.0%

2-Bromo-5-methylpyridine (3510-66-5) + phenylboronic acid (98-80-6) → 5-methyl-2-phenylpyridine (27012-22-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; for 18h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201505820

Reference yield: 90.0%

2-Bromo-5-methylpyridine (3510-66-5) + triphenylbismuthane (603-33-8) → 5-methyl-2-phenylpyridine (27012-22-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In N,N-dimethyl-formamide; at 130 ℃; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201300850

Reference yield: 90.0%

2-Bromo-5-methylpyridine (3510-66-5) + 4-methyl-2,6-dioxo-8-phenylhexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide (109674-45-5) → 5-methyl-2-phenylpyridine (27012-22-2)

Guidance literature:

With potassium phosphate; [Pd(η(5)-C5H5)Fe(η(5)-C5H3-C(CH3)=N-C6H4-4-CH3)Cl(P(C6H5)3)]; In ethanol; water; at 90 ℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/c4ra07486f

upstream raw materials:

3-Methylpyridine

phenyllithium

toluene

n-butyllithium

Downstream raw materials:

6-phenylpyridine-3-carboxylic acid

5-(bromomethyl)-2-phenylpyridine

C₄₂H₃₉N₃O₃

(E)-5-methyl-2-(2-(2-methylstyryl)phenyl)pyridine

Refernces

• 1、 Huang, Binbin,Guo, Lin,Xia, Wujiong. "A facile and versatile electro-reductive system for hydrodefunctionalization under ambient conditions". supporting information. p. 2095 - 2103. Retrieved 2021/03/26.
• 2、 -. "Compound, luminescent layer guest material, organic electroluminescent device and display device". Paragraph 0127; 0136-0138. . Retrieved 2021/06/22.