Isonicotinic anhydride

Base Information

• Chemical Name: Isonicotinic anhydride
• CAS No.: 7082-71-5
• Molecular Formula: C12H8 N2 O3
• Molecular Weight: 228.207
• Hs Code.: 2933399090
• European Community (EC) Number: 230-382-6
• NSC Number: 139658
• UNII: 9SPV5P3BG9
• DSSTox Substance ID: DTXSID20221078
• Nikkaji Number: J227.371C
• Wikidata: Q72485463
• Mol file: 7082-71-5.mol

Synonyms:Isonicotinic anhydride;7082-71-5;pyridine-4-carbonyl pyridine-4-carboxylate;9SPV5P3BG9;EINECS 230-382-6;NSC-139658;NSC139658;isonicotinic acid anhydride;ISONICOTINICANHYDRIDE;UNII-9SPV5P3BG9;Isonicotinic anhydride, 97%;SCHEMBL647632;DTXSID20221078;Bis(4-pyridinecarboxylic)anhydride;4-Pyridinecarboxylic acid, anhydride;MFCD00062784;NSC 139658;FT-0746208;A25414;J-640113;J-800114;4-Pyridinecarboxylic acid, anhydride with 4-pyridinecarboxylic acid;4-Pyridinecarboxylic acid anhydride;Pyridine-4-carboxylic acid anhydride

Chemical Property of Isonicotinic anhydride

Chemical Property:

• Vapor Pressure: 5.25E-07mmHg at 25°C
• Melting Point: 133 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 412.3°C at 760 mmHg
• Flash Point: 203.1°C
• PSA: 69.15000
• Density: 1.317g/cm³
• LogP: 1.47380
• 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: 254

Purity/Quality:

≥ 99.0% ^*data from raw suppliers

Isonicotinic anhydride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-14-36/37/38
• Safety Statements: 7/8-45-36/37/39-25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2

Technology Process of Isonicotinic anhydride

There total 6 articles about Isonicotinic 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: 92.0%

pyridine-4-carboxylic acid (55-22-1) + potassium pyridine-4-carboxylate (25108-37-6) → isonicotinic anhydride (7082-71-5)

Guidance literature:

pyridine-4-carboxylic acid; With trichloroisocyanuric acid; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

potassium pyridine-4-carboxylate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1515/chempap-2015-0042

Reference yield: 55.0%

pyridine-4-carboxylic acid (55-22-1) → isonicotinic anhydride (7082-71-5)

Guidance literature:

pyridine-4-carboxylic acid; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 ℃;

With bis(trichloromethyl) carbonate; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1246/bcsj.81.148

Reference yield:

→ isonicotinic anhydride (7082-71-5)

Guidance literature:

With oxalyl dichloride; benzene;

DOI:10.1021/ja01651a067

upstream raw materials:

4-(chlorocarbonyl)pyridine

pyridine-4-carboxylic acid

potassium pyridine-4-carboxylate

Downstream raw materials:

7-hydroxy-3-(4-hydroxy-phenyl)-2-pyridin-4-yl-chromen-4-one

4-Benzoylpyridine

N-{3-[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]}isonicotinamide

(1-Benzenesulfonyl-3-ethyl-1H-indol-2-yl)-pyridin-4-yl-methanone

Refernces

• 1、 Cheng, Xi,Zhang, Da-Li,Li, Xiao-Bing,Ye, Jian-Tao,Shi, Lei,Huang, Zhi-Shu,Gu, Lian-Quan,An, Lin-Kun. "Syntheses of diacyltanshinol derivatives and their suppressive effects on macrophage foam cell formation by reducing oxidized LDL uptake". . p. 24 - 30. Retrieved 2014/01/06.
• 2、 Wood, Warren J. L.,Patterson, Andrew W.,Tsuruoka, Hiroyuki,Jain, Rishi K.,Ellman, Jonathan A.. "Substrate activity screening: A fragment-based method for the rapid identification of nonpeptidic protease inhibitors". . p. 15521 - 15527. Retrieved 2007/10/03.