alpha-Butylbenzyl nicotinate

Base Information

• Chemical Name: alpha-Butylbenzyl nicotinate
• CAS No.: 101952-55-0
• Molecular Formula: C₁₇H₁₉NO₂
• Molecular Weight: 269.343
• DSSTox Substance ID: DTXSID40906895
• Nikkaji Number: J68.291H
• Mol file: 101952-55-0.mol

Synonyms:alpha-Butylbenzyl nicotinate;Nicotinic acid, alpha-butylbenzyl ester;BRN 0243653;101952-55-0;4-22-00-00367 (Beilstein Handbook Reference);1-phenylpentyl pyridine-3-carboxylate;DTXSID40906895;Nicotinic acid (alpha-butylbenzyl) ester;LS-96533

Chemical Property of alpha-Butylbenzyl nicotinate

Chemical Property:

• Vapor Pressure: 5.98E-06mmHg at 25°C
• Boiling Point: 379.1°Cat760mmHg
• Flash Point: 183.1°C
• Density: 1.085g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 269.141578849
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C1=CC=CC=C1)OC(=O)C2=CN=CC=C2

Technology Process of alpha-Butylbenzyl nicotinate

There total 1 articles about alpha-Butylbenzyl nicotinate 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:

3-pyridinecarbonyl chloride (10400-19-8) + 1-Phenyl-1-pentanol (583-03-9) → nicotinic acid-(1-phenyl-pentyl ester) (101952-55-0)

Guidance literature:

With pyridine; benzene;

upstream raw materials:

3-pyridinecarbonyl chloride

1-Phenyl-1-pentanol