Tetrahydrofurfuryl nicotinate

Base Information

• Chemical Name: Tetrahydrofurfuryl nicotinate
• CAS No.: 70-19-9
• Molecular Formula: C11H13 N O3
• Molecular Weight: 207.229
• European Community (EC) Number: 200-727-5
• UNII: F3B9JHL36W
• DSSTox Substance ID: DTXSID10871541
• Nikkaji Number: J4.875E
• Wikidata: Q27277579
• ChEMBL ID: CHEMBL2105483
• Mol file: 70-19-9.mol

Synonyms:tetrahydrofurfuryl nicotinate;thurfyl nicotinate;Trafuril

Chemical Property of Tetrahydrofurfuryl nicotinate

Chemical Property:

• Vapor Pressure: 0.000356mmHg at 25°C
• Boiling Point: 318.7°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 48.42000
• Density: 1.175g/cm³
• LogP: 1.41740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

TETRAHYDROFURYL NICOTINATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)COC(=O)C2=CN=CC=C2
• Uses: Tetrahydrofurfuryl nicotinate is a derivative of Nicotinic Acid (N429250), a precursor of the coenzymes NAD and NADP. Widely distributed in nature; appreciable amounts are found in liver , fish, yeast and cereal grains. Dietary deficiency is associated with pellagra. The term “niacin” has also been applied to nicotinamide or to other derivatives exhibiting the biological activity of nicotinic acid. Vitamin (enzyme cofactor).

Technology Process of Tetrahydrofurfuryl nicotinate

There total 3 articles about Tetrahydrofurfuryl 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:

Tetrahydrofurfuryl alcohol (97-99-4) + 3-pyridinecarbonyl chloride (10400-19-8) → Tetrahydrofurfuryl nicotinate (70-19-9)

Guidance literature:

With diethyl ether; at 0 ℃;

Reference yield:

Tetrahydrofurfuryl alcohol (97-99-4) + nicotinic acid (59-67-6) → Tetrahydrofurfuryl nicotinate (70-19-9)

Guidance literature:

With boron trioxide; Entfernen des entstehenden Wassers;

Reference yield:

Tetrahydrofurfuryl alcohol (97-99-4) + Pyridine-2,3-dicarboxylic anhydride (699-98-9) → Tetrahydrofurfuryl nicotinate (70-19-9)

Guidance literature:

upstream raw materials:

Tetrahydrofurfuryl alcohol

nicotinic acid

3-pyridinecarbonyl chloride

Pyridine-2,3-dicarboxylic anhydride