3-Benzylpyridine

Base Information

• Chemical Name: 3-Benzylpyridine
• CAS No.: 620-95-1
• Molecular Formula: C12H11N
• Molecular Weight: 169.226
• Hs Code.: 2933399090
• European Community (EC) Number: 210-661-9
• DSSTox Substance ID: DTXSID80211051
• Nikkaji Number: J79.753G
• Wikidata: Q83085904
• Mol file: 620-95-1.mol

Synonyms:3-benzylpyridine

Chemical Property of 3-Benzylpyridine

Chemical Property:

• Vapor Pressure: 0.00537mmHg at 25°C
• Melting Point: 34°C
• Refractive Index: 1.576
• Boiling Point: 283.6 °C at 760 mmHg
• PKA: 5.40±0.10(Predicted)
• Flash Point: 118.6 °C
• PSA: 12.89000
• Density: 1.044 g/cm³
• LogP: 2.67240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.089149355
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

3-Benzylpyridine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CN=CC=C2

Technology Process of 3-Benzylpyridine

There total 58 articles about 3-Benzylpyridine 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: 94.0%

3-Benzoylpyridine (5424-19-1) → 3-benzylpyridine (620-95-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 24h;

DOI:10.1016/j.bmc.2008.05.049

Reference yield: 94.0%

toluene-4-sulfonic acid phenyl ester (640-60-8) + hydrazone of pyridine-3-carboxaldehyde (26364-02-3) → 3-benzylpyridine (620-95-1)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene; trimethylphosphane; In tetrahydrofuran; at 110 ℃; for 12h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acscatal.8b01224

Reference yield: 94.0%

benzyl chloride (100-44-7) + 3-pyridylboronic acid (1692-25-7) → 3-benzylpyridine (620-95-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 100 ℃; for 4h; Inert atmosphere; Large scale reaction;

DOI:10.1002/ejoc.200800544

upstream raw materials:

pyridine

benzyl chloride

iodomethylbenzene

3-Benzoylpyridine

Downstream raw materials:

N-(2,4-dinitrophenyl)-3-benzylpyridinium chloride

3-(1-phenylethyl)pyridine

3-benzylpiperidine

C₁₆H₁₂N₂O₂S