2-Methoxynicotinonitrile

Base Information

• Chemical Name: 2-Methoxynicotinonitrile
• CAS No.: 7254-34-4
• Molecular Formula: C7H6 N2 O
• Molecular Weight: 134.1353
• Hs Code.: 2933399090
• European Community (EC) Number: 678-932-8
• NSC Number: 73298
• DSSTox Substance ID: DTXSID30291126
• Nikkaji Number: J613.831D
• Wikidata: Q72517176
• Mol file: 7254-34-4.mol

Synonyms:2-methoxynicotinonitrile;7254-34-4;3-Cyano-2-methoxypyridine;2-methoxypyridine-3-carbonitrile;2-Methoxy-nicotinonitrile;2-methoxy-3-cyanopyridine;3-PYRIDINECARBONITRILE, 2-METHOXY-;MFCD07363804;NSC73298;NCIOpen2_000556;SCHEMBL564719;DTXSID30291126;terephthalylidenebis(p-nonylaniline);2-Methoxynicotinonitrile, AldrichCPR;BBL012509;NSC 73298;NSC-73298;STK501522;AKOS000198238;PB30871;PS-5495;AC-29630;AM804288;SY039103;CS-0006842;FT-0659646;EN300-30781;A837560;J-512354;Z31131631;2-Methoxynicotinonitrile

Chemical Property of 2-Methoxynicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0367mmHg at 25°C
• Melting Point: 58-62 ºC
• Boiling Point: 241 °C at 760 mmHg
• PKA: -0.05±0.10(Predicted)
• Flash Point: 99.6 °C
• PSA: 45.91000
• Density: 1.16 g/cm³
• LogP: 0.96188
• Storage Temp.: Keep Cold
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 134.048012819
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

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

2-Methoxynicotinonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=N1)C#N
• Uses: 3-Cyano-2-methoxypyridine is used as an organic chemical synthesis intermediate.

Technology Process of 2-Methoxynicotinonitrile

There total 7 articles about 2-Methoxynicotinonitrile 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%

sodium methylate (124-41-4) + 2-allylsuphanyl-3-cyanopyridine (145325-29-7) → 2-methoxy-3-cyanopyridine (7254-34-4)

Guidance literature:

In methanol; Heating;

DOI:10.1002/prac.19923340606

Reference yield: 93.0%

methanol (67-56-1) + 2-chloro-3-pyridinecarbonitrile (6602-54-6) → 2-methoxy-3-cyanopyridine (7254-34-4)

Guidance literature:

With sodium; for 6h; Reflux;

DOI:10.1016/j.bmc.2011.09.005

Reference yield: 63.0%

acetonitrile (75-05-8,26809-02-9) + 2-methoxypyridin-3-yl-boronic acid (163105-90-6) → 2-methoxy-3-cyanopyridine (7254-34-4)

Guidance literature:

With N-iodo-succinimide; 1,10-Phenanthroline; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 1,1,1,2,2,2-hexamethyldisilane; oxygen; copper diacetate; diisopropylamine; at 20 - 150 ℃; Schlenk technique;

DOI:10.1002/chem.201501823

upstream raw materials:

2-chloro-3-pyridinecarbonitrile

methyl sodium

sodium methylate

2-allylsuphanyl-3-cyanopyridine

Downstream raw materials:

1-benzyl-3-cyano-4-phenyl-2-oxo-1,2-dihydropyridine

1,4-dibenzyl-3-cyano-2-oxo-1,2-dihydropyridine

1-benzyl-3-cyano-4-(2-methylphenyl)-2-oxo-1,2-dihydropyridine

1-benzyl-3-cyano-4-(4-methylphenyl)-2-oxo-1,2-dihydropyridine

Refernces

• 1、 -. "Novel 3-(4-(piperazin-1-yl)benzamido)-1H-pyrazolopyridine derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for use in preventing or treating MELK(maternal embryonic leucine zipper kinase) ". Paragraph 0231; 0232; 0233; 0234. . Retrieved 2017/08/19.
• 2、 -. "Derivatives of azaindoles or diazaindoles for treating pain". Paragraph 0184. . Retrieved 2014/02/15.