4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]-

Base Information

• Chemical Name: 4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]-
• CAS No.: 601514-61-8
• Molecular Formula: C10H11N3
• Molecular Weight: 173.21
• Hs Code.: 2933399990
• Mol file: 601514-61-8.mol

Synonyms:4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]-

Chemical Property of 4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]-

Chemical Property:

• Boiling Point: 323.6±37.0 °C(Predicted)
• PKA: 6.49±0.70(Predicted)
• PSA: 39.92000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 1.48558

Purity/Quality:

99% ^*data from raw suppliers

3-((E)-2-Dimethylaminovinyl)isonicotinonitrile 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]-

There total 4 articles about 4-Pyridinecarbonitrile, 3-[(1E)-2-(dimethylamino)ethenyl]- 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: 54.4%

3-methyl-4-cyanopyridine (7584-05-6) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (E)-3-(2-(dimethylamino)vinyl)isonicotinonitrile (601514-61-8)

Guidance literature:

In N,N-dimethyl-formamide; Reflux;

Reference yield:

3-methyl-4-nicotinicamide (251101-36-7) → (E)-3-(2-(dimethylamino)vinyl)isonicotinonitrile (601514-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 24 h / 24 °C / Reflux

2: N,N-dimethyl-formamide / Reflux

With trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2018.05.027

Reference yield:

3-methyl-isonicotinic acid (4021-12-9) → (E)-3-(2-(dimethylamino)vinyl)isonicotinonitrile (601514-61-8)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride; ammonium hydroxide / water / 3 h / 20 °C / Reflux

2: trichlorophosphate / 24 h / 24 °C / Reflux

3: N,N-dimethyl-formamide / Reflux

With ammonium hydroxide; thionyl chloride; trichlorophosphate; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2018.05.027

upstream raw materials:

3-methyl-4-cyanopyridine

N,N-dimethyl-formamide dimethyl acetal

3-methyl-4-nicotinicamide

3-methyl-isonicotinic acid

Downstream raw materials:

6-benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one

2-benzyl-5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

1,2-dihydro-2,6-naphthyridin-1-one

Refernces

• 1、 -. "DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS". Page/Page column 82-83. . Retrieved 2010/01/30.