2-Chloro-3-methoxypyridine

Base Information

• Chemical Name: 2-Chloro-3-methoxypyridine
• CAS No.: 52605-96-6
• Molecular Formula: C6H6ClNO
• Molecular Weight: 143.573
• Hs Code.: 29333990
• European Community (EC) Number: 258-039-6
• DSSTox Substance ID: DTXSID70200590
• Nikkaji Number: J295.745K
• Wikidata: Q72453433
• ChEMBL ID: CHEMBL4644642
• Mol file: 52605-96-6.mol

Synonyms:2-Chloro-3-methoxypyridine;52605-96-6;Pyridine, 2-chloro-3-methoxy-;MFCD03426022;EINECS 258-039-6;2-chloro-3-methoxy-pyridine;2chloro-3-methoxylpyridine;SCHEMBL1445568;CHEMBL4644642;DTXSID70200590;STR05101;AKOS005257338;AB14749;AC-1390;AM62383;CS-W003068;2-Chloro-3-methoxypyridine, AldrichCPR;SY005476;FT-0611728;EN300-113157;A829169;J-508668

Chemical Property of 2-Chloro-3-methoxypyridine

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 0.276mmHg at 25°C
• Melting Point: 90-92 °C
• Refractive Index: 1.517
• Boiling Point: 210.6 °C at 760 mmHg
• PKA: -0.51±0.10(Predicted)
• Flash Point: 81.2 °C
• PSA: 22.12000
• Density: 1.21 g/cm³
• LogP: 1.74360
• Storage Temp.: Room temperature.
• Water Solubility.: Insoluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.0137915
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

2-Chloro-3-methoxypyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(N=CC=C1)Cl
• Uses: It is a pharmaceutical raw material and also used in medicine.

Technology Process of 2-Chloro-3-methoxypyridine

There total 9 articles about 2-Chloro-3-methoxypyridine 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-chloro-3-hydroxypyridine (6636-78-8) + methyl iodide (74-88-4) → 2-chloro-3-methoxypyridine (52605-96-6)

Guidance literature:

2-chloro-3-hydroxypyridine; With sodium methylate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.666667h; Cooling with ice;

Reference yield: 90.0%

3-methoxy-1H-pyridin-2-one (20928-63-6) → 2-chloro-3-methoxypyridine (52605-96-6)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 140 ℃; for 1h;

DOI:10.3987/COM-89-S75

Reference yield:

methyl iodide (74-88-4) → 2-chloro-3-methoxypyridine (52605-96-6)

Guidance literature:

2-chloro-3-hydroxypyridine; With sodium methylate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

methyl iodide; In N,N-dimethyl-formamide; for 16h;

upstream raw materials:

diazomethane

2-chloro-3-hydroxypyridine

3-methoxy-1H-pyridin-2-one

methyl iodide

Downstream raw materials:

2,3-dimethoxy-4-hydroxypyridine

2,3-Dimethoxy-4-isopropoxypyridine

2,3-dimethoxypyridine

4-(3-methoxypyridin-2-yl)-benzoic acid

Refernces

• 1、 -. "A halogenated nitrogen-containing unsaturated cyclic hydrocarbon preparation method". Paragraph 0018. . Retrieved 2018/05/16.
• 2、 -. "PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS". Page/Page column 63; 64. . Retrieved 2016/07/05.