5-Isopropyl-o-tolyl nicotinate

Base Information

• Chemical Name: 5-Isopropyl-o-tolyl nicotinate
• CAS No.: 35931-29-4
• Molecular Formula: C16H17 N O2
• Molecular Weight: 255.316
• European Community (EC) Number: 252-799-2
• DSSTox Substance ID: DTXSID00957343
• Nikkaji Number: J319.586D
• Wikidata: Q82937661
• Mol file: 35931-29-4.mol

Synonyms:5-Isopropyl-o-tolyl nicotinate;35931-29-4;EINECS 252-799-2;3-Pyridinecarboxylic acid, 2-methyl-5-(1-methylethyl)phenyl ester;DTXSID00957343;NS00057959;2-Methyl-5-(propan-2-yl)phenyl pyridine-3-carboxylate

Chemical Property of 5-Isopropyl-o-tolyl nicotinate

Chemical Property:

• Vapor Pressure: 2.73E-07mmHg at 25°C
• Boiling Point: 420.8°Cat760mmHg
• Flash Point: 208.3°C
• PSA: 39.19000
• Density: 1.098g/cm³
• LogP: 3.73260
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

5-ISOPROPYL-ORTHO-TOLYL NICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Isopropyl-o-tolyl nicotinate

There total 2 articles about 5-Isopropyl-o-tolyl 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) + carvacrol (499-75-2) → nicotinic acid-(5-isopropyl-2-methyl-phenyl ester) (35931-29-4)

Guidance literature:

With pyridine; benzene;

Reference yield:

→ nicotinic acid-(5-isopropyl-2-methyl-phenyl ester) (35931-29-4)

Guidance literature:

Nicotinsaeure, 1. SOCl2, 2. Carvacrol;

upstream raw materials:

3-pyridinecarbonyl chloride

carvacrol