3-OXO-3-PYRIDIN-4-YL-PROPIONITRILE

Base Information

• Chemical Name: 3-OXO-3-PYRIDIN-4-YL-PROPIONITRILE
• CAS No.: 23821-37-6
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.15
• Hs Code.: 2933399990
• Mol file: 23821-37-6.mol

Synonyms:4-Pyridinepropionitrile,beta-oxo- (7CI,8CI);4-Pyridinepropanenitrile,beta-oxo-;3-Oxo-3-(pyridin-4-yl)propionitrile;4-(2-Cyanoacetyl)pyridine;

Chemical Property of 3-OXO-3-PYRIDIN-4-YL-PROPIONITRILE

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 335.3 °C at 760 mmHg
• PKA: 6.29±0.10(Predicted)
• Flash Point: 156.6 °C
• PSA: 53.75000
• Density: 1.177 g/cm³
• LogP: 1.17798
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Oxo-3-(pyridin-4-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-OXO-3-PYRIDIN-4-YL-PROPIONITRILE

There total 4 articles about 3-OXO-3-PYRIDIN-4-YL-PROPIONITRILE 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: 76.0%

4-pyridinecarboxylic acid, methyl ester (2459-09-8) + acetonitrile (75-05-8,26809-02-9) → 3-oxo-3-(pyridin-4-yl)propanenitrile (23821-37-6)

Guidance literature:

acetonitrile; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 0.25h;

4-pyridinecarboxylic acid, methyl ester; In dimethyl sulfoxide; at 20 - 60 ℃; for 16.17h;

Reference yield:

isonicotinic acid ethylester (1570-45-2) + acetonitrile (75-05-8,26809-02-9) → 3-oxo-3-(pyridin-4-yl)propanenitrile (23821-37-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 50 ℃;

DOI:10.1016/j.bmc.2020.115742

Reference yield:

sodium salt of β-oxo-β-(4-pyridyl)propionitrile + p-chlorphenylisocyanate (104-12-1) → p-Chloro-α-cyano-β-oxo-β-(4-pyridyl)propionanilide + 3-oxo-3-(pyridin-4-yl)propanenitrile (23821-37-6)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide;

upstream raw materials:

4-pyridinecarboxylic acid, methyl ester

acetonitrile

p-chlorphenylisocyanate

isonicotinic acid ethylester

Downstream raw materials:

N-(3-(pyridin-4-yl)-1-(p-tolyl)-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C₃₃H₂₉N₅O₃

(S)-N-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide

Refernces

• 1、 -. "SUBSTITUTED PYRAZOLO-PYRIMIDINES AND USES THEREOF". Paragraph 0112; 0113. . Retrieved 2021/07/24.
• 2、 Boggu, Pulla Reddy,Venkateswararao, Eeda,Manickam, Manoj,Sharma, Niti,Kang, Jong Seong,Jung, Sang-Hun. "Identification of diphenylalkylisoxazol-5-amine scaffold as novel activator of cardiac myosin". . . Retrieved 2020/09/16.