2,6-Pyridinedicarboxylic acid monomethyl ester

Base Information

• Chemical Name: 2,6-Pyridinedicarboxylic acid monomethyl ester
• CAS No.: 7170-36-7
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 2933399090
• European Community (EC) Number: 808-166-3
• DSSTox Substance ID: DTXSID00398575
• Nikkaji Number: J640.573H
• Wikidata: Q72503900
• Mol file: 7170-36-7.mol

Synonyms:7170-36-7;2,6-Pyridinedicarboxylic acid monomethyl ester;6-(methoxycarbonyl)picolinic acid;6-(methoxycarbonyl)pyridine-2-carboxylic acid;6-methoxycarbonylpyridine-2-carboxylic Acid;6-(methoxycarbonyl)-2-pyridinecarboxylic acid;MFCD00806109;Monomethyl Dipicolinate;2,6-Pyridinedicarboxylicacidmonomethylester;2,6-pyridinedicarboxylic acid mono methyl ester;Oprea1_037130;SCHEMBL1500410;6-(methoxycarbonyl)picolinicacid;6-methoxy-carbonylpicolinic acid;Dipicolinic Acid Monomethyl Ester;DTXSID00398575;VWIOMFMPIVMLIR-UHFFFAOYSA-N;2-carboxy-6-methoxycarbonylpyridine;Monomethyl 2,6-Pyridinedicarboxylate;AKOS000266689;CS-W019323;NCGC00327378-01;AC-25703;SY021271;TS-00203;A9380;AM20061463;FT-0601152;M2580;EN300-42224;AB01322139-02;2,6-Pyridinedinedicarboxylic Acid Monomethyl Ester;6-[(methyloxy)carbonyl]-2-pyridinecarboxylic acid;SR-01000394173;J-518078;SR-01000394173-1;Z425797000

Chemical Property of 2,6-Pyridinedicarboxylic acid monomethyl ester

Chemical Property:

• Vapor Pressure: 7.18E-07mmHg at 25°C
• Melting Point: 144-146 ºC
• Refractive Index: 1.56
• Boiling Point: 392.7 ºC at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 191.3 ºC
• PSA: 76.49000
• Density: 1.361 g/cm³
• LogP: 0.56640
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

2,6-PyridinedicarboxylicAcidMonomethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=N1)C(=O)O
• Uses: 2,6-Pyridinedicarboxylic Acid Monomethyl Ester can be used as chemical scavengers.

Technology Process of 2,6-Pyridinedicarboxylic acid monomethyl ester

There total 2 articles about 2,6-Pyridinedicarboxylic acid monomethyl ester 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: 65.0%

methanol (67-56-1) + 2,6-Pyridinedicarbonyl dichloride (3739-94-4) → 2,6-bis(methoxycarbonyl)pyridine (5453-67-8) + 6-(methoxycarbonyl)pyridine-2-carboxylic acid (7170-36-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1016/j.tet.2011.09.006

Reference yield: 40.0%

methanol (67-56-1) + Pyridine-2,6-dicarboxylic acid (499-83-2) → 2,6-bis(methoxycarbonyl)pyridine (5453-67-8) + 6-(methoxycarbonyl)pyridine-2-carboxylic acid (7170-36-7)

Guidance literature:

With sulfuric acid; In water; 1) 15 min, reflux, 2) RT, 10 h;

DOI:10.1021/jo00337a018

Reference yield: 89.0%

6-(methoxycarbonyl)pyridine-2-carboxylic acid (7170-36-7) + 2'-Aminobenzanilid (721-47-1) → C21H17N3O4

Guidance literature:

6-(methoxycarbonyl)pyridine-2-carboxylic acid; 2'-Aminobenzanilid; With benzotriazol-1-ol; In tetrahydrofuran; at 0 - 20 ℃; for 0.333333h; Inert atmosphere;

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 20.75h; Inert atmosphere;

DOI:10.1002/chem.201406521

upstream raw materials:

methanol

Pyridine-2,6-dicarboxylic acid

2,6-Pyridinedicarbonyl dichloride

Downstream raw materials:

Methyl 2-acetylpyridine-6-carboxlyate

2,6-bis(methoxycarbonyl)pyridine

6-(2-Tritylsulfanyl-acetyl)-pyridine-2-carboxylic acid methyl ester

8-(Benzyloxy)-7-bromo-2-(2'-pyridyl)quinoline-6'-carboxylic acid

Refernces

• 1、 Johansen, Jon E.,Christie, Bradley D.,Rapoport, Henry. "Iminium Salts from α-Amino Acid Decarbonylation. Application to the Synthesis of Octahydroindoloquinolizines". . p. 4914 - 4920. Retrieved 2007/10/02.