2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile

Base Information

• Chemical Name: 2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile
• CAS No.: 51560-72-6
• Molecular Formula: C15H24 N4 O2
• Molecular Weight: 292.381
• Hs Code.: 2933399090
• European Community (EC) Number: 257-286-7
• DSSTox Substance ID: DTXSID70199516
• Nikkaji Number: J261.763C
• Wikidata: Q83072429
• Mol file: 51560-72-6.mol

Synonyms:51560-72-6;2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile;EINECS 257-286-7;2,6-bis(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile;2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile;3-Cyano-4-methyl-2,6-bismethoxy propylamino pyridine;SCHEMBL9355457;2,6-bis-((3-Methoxypropyl)amino)-4-methylnicotinonitrile;DTXSID70199516;INDAN-2-YLIDENE-ACETICACID;MFCD08703314;AKOS015966617;F15565;W-111019;2,6-BIS(3-METHOXYPROPYLAMINO)-4-METHYLNICOTINONITRILE;2,6-Bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinecarbonitrile;3-Pyridinecarbonitrile, 2,6-bis((3-methoxypropyl)amino)-4-methyl-;2,6-BIS[(3-METHOXYPROPYL)AMINO]-4-METHYLPYRIDINE-3-CARBONITRILE

Chemical Property of 2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile

Chemical Property:

• Vapor Pressure: 3.68E-10mmHg at 25°C
• Boiling Point: 500.8°C at 760 mmHg
• PKA: 3.88±0.10(Predicted)
• Flash Point: 256.7°C
• PSA: 79.20000
• Density: 1.09g/cm³
• LogP: 2.30448
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 292.18992602
• Heavy Atom Count: 21
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=C1C#N)NCCCOC)NCCCOC

Technology Process of 2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile

There total 5 articles about 2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile 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: 75.0%

2,6-dichloro-4-methylnicotinonitrile (875-35-4) + 3-methoxypropylamine (5332-73-0) → 2,6-bis-(3'-methoxy-n-propylamino)-3-cyano-4-methylpyridine (51560-72-6)

Guidance literature:

for 3h; Reflux;

DOI:10.1016/j.dyepig.2017.06.030

Reference yield: 75.0%

2-chloro-3-cyano-4-methyl-6-(3'-methoxypropylamino)-pyridine (56331-52-3) + 3-methoxypropylamine (5332-73-0) → 2,6-bis-(3'-methoxy-n-propylamino)-3-cyano-4-methylpyridine (51560-72-6)

Guidance literature:

at 80 ℃;

Reference yield:

3-cyano-4-methyl-6-hydroxypyrid-2-one (5444-02-0) → 2,6-bis-(3'-methoxy-n-propylamino)-3-cyano-4-methylpyridine (51560-72-6)

Guidance literature:

Multi-step reaction with 3 steps

1: trichlorophosphate / 80 °C

2: ethanol / 90 °C

3: 80 °C

With trichlorophosphate; In ethanol;

upstream raw materials:

2,6-dichloro-4-methylnicotinonitrile

3-methoxypropylamine

2-chloro-3-cyano-4-methyl-6-(3'-methoxypropylamino)-pyridine

3-cyano-4-methyl-6-hydroxypyrid-2-one