Nicotinic anhydride

Base Information

• Chemical Name: Nicotinic anhydride
• CAS No.: 16837-38-0
• Molecular Formula: C12H8N2O3
• Molecular Weight: 228.207
• Hs Code.: 2933399090
• European Community (EC) Number: 240-860-6
• NSC Number: 72756
• DSSTox Substance ID: DTXSID60168554
• Nikkaji Number: J39.101H
• Wikidata: Q72503854
• Mol file: 16837-38-0.mol

Synonyms:Nicotinic anhydride;16837-38-0;3-Pyridinecarboxylic Anhydride;3-Pyridinecarboxylic acid, anhydride;pyridine-3-carbonyl pyridine-3-carboxylate;EINECS 240-860-6;AI3-15770;3-Pyridinecarboxylicanhydride;Nicotinicanhydride;Bisnicotinic anhydride;nicotinic acid anhydride;SCHEMBL2491556;DTXSID60168554;NSC72756;MFCD00055400;NSC 72756;NSC-72756;AKOS015854238;AC-5233;CS-O-30684;CS-W010408;3-Pyridinecarboxylicacid,1,1'-anhydride;AS-31260;FT-0659065;P1768;A810965;J-010452;J-513093

Chemical Property of Nicotinic anhydride

Chemical Property:

• Vapor Pressure: 5.25E-07mmHg at 25°C
• Melting Point: 124 °C
• Refractive Index: 1.599
• Boiling Point: 412.3 °C at 760 mmHg
• PKA: 2.51±0.10(Predicted)
• Flash Point: 203.1 °C
• PSA: 69.15000
• Density: 1.317 g/cm³
• LogP: 1.47380
• Solubility.: soluble in Acetone
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 228.05349212
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

98% ^*data from raw suppliers

3-Pyridinecarboxylic Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)OC(=O)C2=CN=CC=C2
• Uses: Nicotinic Anhydride is useful reactant for the synthesis of hydroxyl-?functionalized iron(II) bis(NHC) complexes.

Technology Process of Nicotinic anhydride

There total 6 articles about Nicotinic anhydride 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: 97.0%

nicotinic acid (59-67-6) → nicotinic anhydride (16837-38-0)

Guidance literature:

With bis(trichloromethyl) carbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1246/cl.2007.326

Reference yield: 52.0%

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + N,N`-dimethylethylenediamine (110-70-3) → nicotinic anhydride (16837-38-0) + N,N'-Dimethyl-N,N'-ethylenebis(nicotinamide) (72301-63-4)

Guidance literature:

With triethylamine; In dichloromethane; at 30 ℃; for 30h;

DOI:10.1021/jo01292a015

Reference yield:

→ nicotinic anhydride (16837-38-0)

Guidance literature:

With oxalyl dichloride; benzene;

DOI:10.1021/ja01651a067

upstream raw materials:

nicotinic acid

3-pyridinecarbonyl chloride

pyridine-3-carbonyl chloride hydrochloride

N,N`-dimethylethylenediamine

Downstream raw materials:

nifenazone

2,4-diphenyl-5-(pyridin-3-yl)oxazole

2-hydroxy-2-phenyl-1-[3]pyridyl-ethanone

etofylline nicotinate