2-Chloro-6-methoxyisonicotinic acid

Base Information

• Chemical Name: 2-Chloro-6-methoxyisonicotinic acid
• CAS No.: 15855-06-8
• Molecular Formula: C7H6ClNO3
• Molecular Weight: 187.583
• Hs Code.: 2933399090
• European Community (EC) Number: 633-912-8
• DSSTox Substance ID: DTXSID60381948
• Nikkaji Number: J307.673C
• Wikidata: Q72453144
• Mol file: 15855-06-8.mol

Synonyms:2-CHLORO-6-METHOXYISONICOTINIC ACID;15855-06-8;2-chloro-6-methoxypyridine-4-carboxylic acid;2-Chloro-6-methoxy-isonicotinic acid;4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHOXY-;MFCD00173928;2-Chloro-6-methoxypyridine-4-carboxylicAcid;SCHEMBL837798;AMY9285;DTXSID60381948;PJQBTHQTVJMCFX-UHFFFAOYSA-N;CS-D1069;AKOS005072771;AB04381;FA-0923;2-Chloro-6-Methoxy Iso Nicotinic Acid;AC-23195;SY014924;A3493;FT-0611871;EN300-147570;W-205821;2-CHLORO-6-METHOXY-4-PYRIDINECARBOXYLIC ACID;2-Chloro-6-methoxypyridine-4-carboxylic Acid

Chemical Property of 2-Chloro-6-methoxyisonicotinic acid

Chemical Property:

• Vapor Pressure: 2.03E-07mmHg at 25°C
• Melting Point: 214-216 °C
• Refractive Index: 1.567
• Boiling Point: 408.9 °C at 760 mmHg
• PKA: 2.88±0.10(Predicted)
• Flash Point: 201.1 °C
• PSA: 59.42000
• Density: 1.43g/cm³
• LogP: 1.44180
• 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:

98%min ^*data from raw suppliers

2-Chloro-6-methoxyisonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-methoxyisonicotinic acid

There total 7 articles about 2-Chloro-6-methoxyisonicotinic 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: 96.0%

methanol (67-56-1) + 2,6-dichloropyridine-4-carboxylic acid (5398-44-7) → 2-chloro-6-methoxy-isonicotinic acid (15855-06-8)

Guidance literature:

With sodium methylate; for 48h; Heating;

DOI:10.1016/S0040-4020(02)00670-1

Reference yield: 82.0%

sodium methylate (124-41-4) + 2,6-dichloropyridine-4-carboxylic acid (5398-44-7) → 2-chloro-6-methoxy-isonicotinic acid (15855-06-8)

Guidance literature:

In methanol; for 24h; Heating / reflux;

Reference yield: 33.0%

2,6-dichloropyridine-4-carboxylic acid (5398-44-7) → 2-chloro-6-methoxy-isonicotinic acid (15855-06-8)

Guidance literature:

upstream raw materials:

sodium methylate

2,6-dichloropyridine-4-carboxylic acid

methanol

citrazinic acid

Downstream raw materials:

2-chloro-6-methoxyisonicotinic acid methyl ester

2-methoxy-isonicotinic acid

Ethyl 6-chloro-2-methoxy-pyridine-4-carboxylate

4-(bromomethyl)-2-chloro-6-methoxypyridine

Refernces

• 1、 Luo, Dongdong,Guo, Zhikun,Zhao, Xuecui,Wu, Lijuan,Liu, Xiaochun,Zhang, Yingzhi,Zhang, Yuhang,Deng, Zirong,Qu, Xianjun,Cui, Shuxiang,Wan, Shengbiao. "Novel 5-fluorouracil sensitizers for colorectal cancer therapy: Design and synthesis of S1P receptor 2 (S1PR2) antagonists". . . Retrieved 2021/10/25.
• 2、 -. "Compounds and methods of use". Page/Page column 431; 432. . Retrieved 2021/08/04.