Dimethyl 4-chloropyridine-2,6-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-chloropyridine-2,6-dicarboxylate
• CAS No.: 5371-70-0
• Molecular Formula: C9H8ClNO4
• Molecular Weight: 229.62
• Hs Code.: 29333990
• European Community (EC) Number: 811-004-4
• NSC Number: 41773
• DSSTox Substance ID: DTXSID30285424
• Nikkaji Number: J1.502.520D
• Wikidata: Q72444561
• Mol file: 5371-70-0.mol

Synonyms:dimethyl 4-chloropyridine-2,6-dicarboxylate;5371-70-0;2,6-Pyridinedicarboxylic acid, 4-chloro-, dimethyl ester;dimethyl 4-chloro-2,6-pyridinedicarboxylate;MFCD02612781;METHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATE;NSC41773;2,6-DIMETHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATE;Dimethyl4-chloropyridine-2,6-dicarboxylate;4-Chloropyridine-2,6-dicarboxylic acid,dimethyl ester;SCHEMBL1137177;DTXSID30285424;NFXKYKHKNUFOKB-UHFFFAOYSA-N;BCP10905;NSC-41773;AKOS000279994;AB11901;AM85806;CS-W006713;DS-16991;SY039032;dimethyl-4-chloro-2,6-pyridinedicarboxylate;D4693;dimethy1-4-chloro-2,6-pyridinedicarboxylate;FT-0689200;Dimethyl 4-chloro-2,6-pyridine dicarboxylate;A18867;EN300-216753;AG-205/01798054;J-400910;4-Chloropyridine-2,6-dicarboxylic acid, dimethyl ester;4-CHLORO-2,6-PYRIDINEDICARBOXYLIC ACID DIMETHYL ESTER;4-Chloro-2,6-pyridinedicarboxylic Acid Dimethyl Ester;Dimethyl 4-Chloropyridine-2,6-dicarboxylate

Chemical Property of Dimethyl 4-chloropyridine-2,6-dicarboxylate

Chemical Property:

• Vapor Pressure: 3.18E-05mmHg at 25°C
• Melting Point: 168ºC
• Refractive Index: 1.531
• Boiling Point: 355.2 °C at 760 mmHg
• PKA: -2.40±0.10(Predicted)
• Flash Point: 168.6 °C
• PSA: 65.49000
• Density: 1.347 g/cm³
• LogP: 1.30820
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethyl 4-Chloro-2,6-pyridinedicarboxylate >98.0%(GC)(N) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl

Technology Process of Dimethyl 4-chloropyridine-2,6-dicarboxylate

There total 16 articles about Dimethyl 4-chloropyridine-2,6-dicarboxylate 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: 95.0%

methanol (67-56-1) + 4-chloropyridine-2,6-dicarbonyl dichloride (71022-75-8) → dimethyl 4-chloro-2,6-pyridinedicarboxylate (5371-70-0)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 0.166667h;

DOI:10.1039/c5dt02358k

Reference yield: 93.0%

methanol (67-56-1) + chelidamic acid (138-60-3) → dimethyl 4-chloro-2,6-pyridinedicarboxylate (5371-70-0)

Guidance literature:

chelidamic acid; With phosphorus pentachloride; In chloroform; for 72h; Reflux;

methanol; In chloroform; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2015.06.015

Reference yield: 91.0%

methanol (67-56-1) + Chelidamic acid (499-51-4) → dimethyl 4-chloro-2,6-pyridinedicarboxylate (5371-70-0) + 4-chloro-6-methoxycarbonylpyridine-2-carboxylic acid (293294-71-0)

Guidance literature:

Chelidamic acid; With Vilsmeier reagent; triethylamine; N,N-dimethyl-formamide; In acetonitrile; at 75 ℃; under 5171.62 Torr;

methanol; In acetonitrile;

DOI:10.1055/s-0031-1289676

upstream raw materials:

methanol

4-chloropyridine-2,6-dicarbonyl dichloride

4-chloro-2,6-pyridinedicarboxylic acid

chelidamic acid

Downstream raw materials:

4-chloro-2,6-bis[(p-tolylsulfonyl)oxymethyl]pyridine

4-iodo-2,6-bis(bromomethyl)pyridine

2,2',6,6'-Tetramethoxycarbonyl-4,4'-bipyridine

4-chloro-2,6-pyridinedicarbaldehyde

Refernces

• 1、 Adekoya, Ibidolapo,Huber, Thomas,Mahawaththa, Mithun C.,Nitsche, Christoph,Orton, Henry W.,Otting, Gottfried. "Organoarsenic probes to study proteins by NMR spectroscopy". supporting information. p. 701 - 704. Retrieved 2022/01/25.
• 2、 De Bettencourt-Dias, Ana,Fetto, Natalie R.,Monteiro, Jorge H. S. K.,Tucker, Matthew J.. "Luminescent Carbazole-Based EuIII and YbIII Complexes with a High Two-Photon Absorption Cross-Section Enable Viscosity Sensing in the Visible and near IR with One- And Two-Photon Excitation". supporting information. p. 3193 - 3199. Retrieved 2020/03/19.