2-Chloro-6-methoxynicotinic acid

Base Information

• Chemical Name: 2-Chloro-6-methoxynicotinic acid
• CAS No.: 503000-87-1
• Molecular Formula: C7H6ClNO3
• Molecular Weight: 187.583
• Hs Code.: 2933399090
• European Community (EC) Number: 817-629-9
• DSSTox Substance ID: DTXSID40472126
• Nikkaji Number: J3.247.750J
• Wikidata: Q72453248
• Mol file: 503000-87-1.mol

Synonyms:2-chloro-6-methoxynicotinic acid;503000-87-1;2-chloro-6-methoxypyridine-3-carboxylic acid;MFCD08236845;2-Chloro-6-MethoxynicotinicAcid;3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHOXY-;SCHEMBL1300585;DTXSID40472126;JPBUYRWPJMVZKX-UHFFFAOYSA-N;2-chloro-6-methoxy-nicotinic acid;AKOS005073613;AB44161;NC-0707;AC-29664;SY044996;A7465;AM20061259;CS-0108677;FT-0659703;2-Chloro-6-methoxynicotinic acid, AldrichCPR;2-chloro-6-methoxy pyridine-3-carboxylic acid;EN300-147669;J-508953

Chemical Property of 2-Chloro-6-methoxynicotinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 231-234℃
• Refractive Index: 1.567
• Boiling Point: 310.391 °C at 760 mmHg
• PKA: 2.41±0.28(Predicted)
• Flash Point: 141.52 °C
• PSA: 59.42000
• Density: 1.43 g/cm³
• LogP: 1.44180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-methoxynicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=C(C=C1)C(=O)O)Cl

Technology Process of 2-Chloro-6-methoxynicotinic acid

There total 12 articles about 2-Chloro-6-methoxynicotinic 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: 96.4%

methanol (67-56-1) + 2,6-dichloropyridine-3-carboxylic acid (38496-18-3) → 2-chloro-6-methoxypyridine-3-carboxylic acid (503000-87-1)

Guidance literature:

With potassium tert-butylate;

Reference yield:

2,6-dichloropyridine-3-carboxylic acid (38496-18-3) → 2-chloro-6-methoxypyridine-3-carboxylic acid (503000-87-1)

Guidance literature:

With potassium tert-butylate; In methanol; at 80 ℃; for 24h; Inert atmosphere;

Reference yield:

2,6-dichloropyridine-3-carboxylic acid (38496-18-3) + sodium methylate (124-41-4) → 6-chloro-2-methoxypyridine-3-carboxylic acid (65515-33-5) + 2-chloro-6-methoxypyridine-3-carboxylic acid (503000-87-1)

Guidance literature:

With methanol; at 70 ℃; for 5h; Overall yield = 69 %; Overall yield = 20.22 g;

upstream raw materials:

methanol

2,6-dichloro-3-(trichloromethyl)pyridine

methyl 2-chloro-6-methoxypyridine-3-carboxylate

2,6-dichloropyridine-3-carboxylic acid

Refernces

• 1、 -. "INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 63-64. . Retrieved 2020/06/01.
• 2、 -. "INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN". Paragraph 0728-0731; 0798-0801. . Retrieved 2019/07/03.