2-Methylisonicotinic acid

Base Information

• Chemical Name: 2-Methylisonicotinic acid
• CAS No.: 4021-11-8
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 29333990
• European Community (EC) Number: 628-206-1
• DSSTox Substance ID: DTXSID30376482
• Nikkaji Number: J2.362.572E
• Wikidata: Q72492223
• Mol file: 4021-11-8.mol

Synonyms:2-methylisonicotinic acid;4021-11-8;2-methylpyridine-4-carboxylic acid;2-methyl-4-pyridinecarboxylic acid;2-Methyl-isonicotinic acid;MFCD00513435;4-Pyridinecarboxylic acid, 2-methyl-;2-methylisonicotinic aicd;Oprea1_070862;SCHEMBL353289;DTXSID30376482;PMDHIMMPXRSDML-UHFFFAOYSA-N;6-methylpyridine-4-carboxylic acid;2-methyl-pyridine-4-carboxylic acid;BBL100119;STK367169;AKOS005206893;AB06393;CS-W008764;EG-0714;AC-23149;SY013049;2-Methylpyridine-4-carboxylic acid, 97%;AM20070141;FT-0600223;M2602;EN300-85323;W-204280;Z1205493663

Chemical Property of 2-Methylisonicotinic acid

Chemical Property:

• Vapor Pressure: 4.52E-06mmHg at 25°C
• Melting Point: 295-299 °C (D)
• Refractive Index: 1.561
• Boiling Point: 368.2 °C at 760 mmHg
• PKA: 2.02±0.10(Predicted)
• Flash Point: 176.5 °C
• PSA: 50.19000
• Density: 1.23 g/cm³
• LogP: 1.08820
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Methylpyridine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC(=C1)C(=O)O
• Uses: 2-Methylpyridine-4-carboxylic acid is an important raw material and intermediate used in pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2-Methylisonicotinic acid

There total 19 articles about 2-Methylisonicotinic 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: 100.0%

→ 2-methylisonicotinic acid (4021-11-8)

Guidance literature:

Reference yield: 92.0%

6,6-dimethoxy-4-cyano-n-hexan-2-one → 2-methylisonicotinic acid (4021-11-8)

Guidance literature:

6,6-dimethoxy-4-cyano-n-hexan-2-one; With hydroxylamine hydrochloride; In methanol; water; at 60 - 70 ℃; for 5h;

With dihydrogen peroxide; In methanol; water; at 65 - 70 ℃; for 4h;

With sodium hydroxide; In methanol; water; at 80 - 85 ℃; for 2h; Solvent; Temperature; Reagent/catalyst;

Reference yield: 85.0%

dimethyl-[2-(2-methylpyridin-4-yl)vinyl]amine → 2-methylisonicotinic acid (4021-11-8)

Guidance literature:

dimethyl-[2-(2-methylpyridin-4-yl)vinyl]amine; With water; ozone; In acetic acid; at 15 - 20 ℃; for 1h;

With dihydrogen peroxide; In water; acetic acid; at 50 ℃; for 2h;

upstream raw materials:

2-methyl-4-cyanopyridine

methyl 2-methylisonicotinate

2,4-lutidine

uvitonic acid

Downstream raw materials:

methyl 2-methylisonicotinate

ethyl 2-methylpyridine-4-carboxylate

2-(2-methyl-pyridin-4-yl)-benzooxazole

2-(2-methyl-pyridin-4-yl)-benzothiazole

Refernces

• 1、 -. "HUMAN PLASMA KALLIKREIN INHIBITORS". Page/Page column 150. . Retrieved 2017/05/10.
• 2、 -. "(Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use". Paragraph 0340 - 0342. . Retrieved 2015/05/13.