2-Cyanopyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-Cyanopyridine-3-carboxylic acid
• CAS No.: 73112-09-1
• Molecular Formula: C7H4 N2 O2
• Molecular Weight: 148.121
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10501639
• Nikkaji Number: J3.504.008K
• Mol file: 73112-09-1.mol

Synonyms:2-cyanonicotinic acid;73112-09-1;2-Cyanopyridine-3-carboxylic acid;3-PYRIDINECARBOXYLIC ACID, 2-CYANO-;2-Cyanonicotinicacid;SCHEMBL1663588;DTXSID10501639;XKTPVUNCEFBYHP-UHFFFAOYSA-N;MFCD07368148;ZB1147;AKOS005264859;AB31804;AC-14844;AS-50064;CS-0233444;FT-0646510;EN300-133596;O10763;A837722

Chemical Property of 2-Cyanopyridine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.19E-07mmHg at 25°C
• Melting Point: 192-203 °C(Solv: methanol (67-56-1))
• Boiling Point: 396.9oC at 760 mmHg
• PKA: 2.41±0.10(Predicted)
• Flash Point: 193.8oC
• PSA: 73.98000
• Density: 1.42g/cm3
• LogP: 0.65148
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 148.027277375
• Heavy Atom Count: 11
• Complexity: 206

Purity/Quality:

99.5% ^*data from raw suppliers

2-CYANOPYRIDINE-3-CARBOXYLICACID 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)C#N)C(=O)O

Technology Process of 2-Cyanopyridine-3-carboxylic acid

There total 6 articles about 2-Cyanopyridine-3-carboxylic acid 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: 64.0%

3-carbomethoxy-2-pyridinecarbonitrile (75358-89-3) → 2-cyanopyridine-3-carboxylic acid (73112-09-1)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 8h;

DOI:10.1055/s-0034-1379917

Reference yield: 40.0%

2,3-pyridinedicarboxylic acid chloride (55155-23-2) → 2-cyanopyridine-3-carboxylic acid (73112-09-1)

Guidance literature:

With ammonium hydroxide;

Reference yield: 25.0%

2-Aminocarbonylnicotinic acid (5860-70-8) → 2-cyanopyridine-3-carboxylic acid (73112-09-1)

Guidance literature:

With acetic anhydride; In pyridine;

upstream raw materials:

3-carbomethoxy-2-pyridinecarbonitrile

2,3-pyridinedicarboxylic acid chloride

2-Aminocarbonylnicotinic acid

ammonia

Downstream raw materials:

3-carbomethoxy-2-pyridinecarbonitrile

2,3-pyridinedicarboximide

Refernces

• 1、 Spiessens, Luc I. M.,Anteunis, Marc J. O.. "PREPARATION AND STRUCTURAL ASSIGNMENTS OF SOME ISOMERIC 2,3-DISUBSTITUTED PYRIDINES". . p. 205 - 232. Retrieved 2007/10/02.