3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile

Base Information

• Chemical Name: 3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile
• CAS No.: 493038-85-0
• Molecular Formula: C₁₀H₁₁N₃
• Molecular Weight: 173.217
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID60352613
• Wikidata: Q82129857
• Mol file: 493038-85-0.mol

Synonyms:493038-85-0;(2Z)-3-(dimethylamino)-2-pyridin-2-ylacrylonitrile;3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile;(Z)-3-(Dimethylamino)-2-(pyridin-2-yl)acrylonitrile;(Z)-3-(dimethylamino)-2-pyridin-2-ylprop-2-enenitrile;3-(dimethylamino)-2-(pyridin-2-yl)prop-2-enenitrile;(2Z)-3-(dimethylamino)-2-(pyridin-2-yl)prop-2-enenitrile;1577254-94-4;MFCD01570039;HMS1662I14;24403-32-5;2-pyridineacetonitrile, alpha-[(dimethylamino)methylene]-;DTXSID60352613;CNC25494;CCG-55274;AKOS005070286;EN300-186418;3T-0872;J-502599;SR-01000644307-1

Chemical Property of 3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile

Chemical Property:

• Melting Point: 70-72
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C=C(C#N)C1=CC=CC=N1
• Isomeric SMILES: CN(C)/C=C(\C#N)/C1=CC=CC=N1

Technology Process of 3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile

There total 2 articles about 3-(Dimethylamino)-2-(2-pyridinyl)acrylonitrile 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: 92.0%

pyridine-2-acetonitrile (2739-97-1) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (Z)-3-Dimethylamino-2-pyridin-2-yl-acrylonitrile (493038-85-0)

Guidance literature:

In toluene; for 2h; Heating;

DOI:10.1007/BF01169960

Reference yield:

pyridine-2-acetonitrile (2739-97-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (Z)-3-Dimethylamino-2-pyridin-2-yl-acrylonitrile (493038-85-0)

Guidance literature:

With 2,4-dichlorophenoxyacetic acid dimethylamine; In toluene; Heating;

DOI:10.1016/S0960-894X(02)00525-5

Reference yield: 9.0%

α-bromoacetophenone (70-11-1) + (Z)-3-Dimethylamino-2-pyridin-2-yl-acrylonitrile (493038-85-0) → 3-benzoylindolizine-1-carbonitrile (25627-81-0)

Guidance literature:

In ethanol; 1.) room temperature, 48 h, 2.) reflux, 2 h;

DOI:10.1007/BF01169960

upstream raw materials:

pyridine-2-acetonitrile

N,N-dimethyl-formamide dimethyl acetal

N,N-dimethyl-formamide

Downstream raw materials:

3-benzoylindolizine-1-carbonitrile

5-amino-4-(pyridin-2-yl)-1H-pyrazole