2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&

Base Information

• Chemical Name: 2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&
• CAS No.: 121643-45-6
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.164
• European Community (EC) Number: 634-228-2
• DSSTox Substance ID: DTXSID60455714
• Nikkaji Number: J1.413.548K
• Wikidata: Q82277825
• Mol file: 121643-45-6.mol

Synonyms:2,6-Dimethoxynicotinonitrile;

Chemical Property of 2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 94-98 °C
• Refractive Index: 1.519
• Boiling Point: 283.86 °C at 760 mmHg
• Flash Point: 125.474 °C
• PSA: 55.14000
• Density: 1.191 g/cm³
• LogP: 0.97048
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

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

2,6-Dimethoxypyridine-3-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=C(C=C1)C#N)OC

Technology Process of 2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9&

There total 10 articles about 2 6-DIMETHOXYPYRIDINE-3-CARBONITRILE 9& 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: 79.0%

1-hydroxy-1-cyclohexanecarbonitrile (931-97-5) + 2,6-dimethoxynicotinic acid (16727-43-8) → 2,6-dimethoxypyridine-3-carbonitrile (121643-45-6)

Guidance literature:

With bis(trifluoromethyl sulfate)palladium; silver carbonate; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1055/s-0030-1258526

Reference yield: 73.0%

sodium cyanide (773837-37-9) + 2,6-dimethoxypyridine (6231-18-1,122797-02-8) → 2,6-dimethoxypyridine-3-carbonitrile (121643-45-6)

Guidance literature:

In methanol; acetonitrile; at 25 ℃; for 4h; Electrolysis;

DOI:10.1002/chem.201802247

Reference yield: 73.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1,6-dihydro-2-methoxy-6-oxopyridine-3-carbonitrile (130747-60-3) → 2,6-dimethoxypyridine-3-carbonitrile (121643-45-6)

Guidance literature:

In methanol; diethyl ether;

upstream raw materials:

diazomethane

1,6-dihydro-2-methoxy-6-oxopyridine-3-carbonitrile

methanol

2,6-dichloro-3-pyridinecarbonitrile