Isopentyl nicotinate

Base Information

• Chemical Name: Isopentyl nicotinate
• CAS No.: 50917-69-6
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• Hs Code.: 2933399090
• European Community (EC) Number: 256-846-8
• UNII: WK8CQ234ED
• DSSTox Substance ID: DTXSID80198959
• Nikkaji Number: J542.151I
• Wikidata: Q83071835
• Mol file: 50917-69-6.mol

Synonyms:Isopentyl nicotinate;50917-69-6;3-methylbutyl pyridine-3-carboxylate;WK8CQ234ED;EINECS 256-846-8;UNII-WK8CQ234ED;3-Pyridinecarboxylic acid, 3-methylbutyl ester;Isopentyl nicotinate #;Nicotinic acid, isoamyl ester;SCHEMBL4411045;DTXSID80198959;Nicotinic acid 3-methylbutyl ester;AKOS006241633;NICOTINIC ACID, ISOPENTYL ESTER

Chemical Property of Isopentyl nicotinate

Chemical Property:

• Vapor Pressure: 0.00984mmHg at 25°C
• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 113.6°C
• PSA: 39.19000
• Density: 1.033g/cm³
• LogP: 2.28450
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98%Min ^*data from raw suppliers

ISOAMYL NICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C1=CN=CC=C1

Technology Process of Isopentyl nicotinate

There total 4 articles about Isopentyl 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:

i-Amyl alcohol (123-51-3) + pyridine-3-carbonyl chloride hydrochloride (20260-53-1) → nicotinic acid isopentyl ester (50917-69-6)

Guidance literature:

With pyridine; benzene;

Reference yield:

nicotinic acid (59-67-6) + i-Amyl alcohol (123-51-3) → nicotinic acid isopentyl ester (50917-69-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

nicotinic acid (59-67-6) → nicotinic acid isopentyl ester (50917-69-6)

Guidance literature:

With phosphorus pentachloride; Behandeln des Reaktionsgemisches mit Isopentylalkohol;

upstream raw materials:

nicotinic acid

i-Amyl alcohol

pyridine-3-carbonyl chloride hydrochloride