3-(4-Nitrophenyl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(4-Nitrophenyl)-3-oxopropanenitrile
• CAS No.: 3383-43-5
• Molecular Formula: C9H6 N2 O3
• Molecular Weight: 190.158
• Hs Code.: 2926909090
• Mol file: 3383-43-5.mol

Synonyms:Acetonitrile,(p-nitrobenzoyl)- (7CI,8CI); (4-Nitrobenzoyl)acetonitrile;3-(4-Nitrophenyl)-3-oxopropanenitrile

Chemical Property of 3-(4-Nitrophenyl)-3-oxopropanenitrile

Chemical Property:

• Vapor Pressure: 3.37E-06mmHg at 25°C
• Melting Point: 135 °C
• Boiling Point: 387.1°C at 760 mmHg
• PKA: 6.38±0.10(Predicted)
• Flash Point: 187.9°C
• PSA: 86.68000
• Density: 1.332g/cm³
• LogP: 2.21438
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Nitrophenyl)-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-Nitrophenyl)-3-oxopropanenitrile

There total 26 articles about 3-(4-Nitrophenyl)-3-oxopropanenitrile 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: 90.0%

4-nitrobenzyl chloride (619-73-8) + acetonitrile (75-05-8,26809-02-9) → (4-Nitrobenzoyl)acetonitrile (3383-43-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 80 ℃; for 3h;

Reference yield: 88.0%

tert-butyl (Z)-2-cyano-3-hydroxy-3-(4-nitrophenyl)-2-propenoate (133550-24-0) → (4-Nitrobenzoyl)acetonitrile (3383-43-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 3.5h; Ambient temperature;

DOI:10.1021/jm00110a022

Reference yield: 83.0%

sodium cyanide (773837-37-9) + 4-Nitrophenacyl bromide (99-81-0) → (4-Nitrobenzoyl)acetonitrile (3383-43-5)

Guidance literature:

With 1,4-bis(imidazol-1-yl)butane-based poly(ionic liquid); In water; at 60 ℃; for 0.25h; Green chemistry;

DOI:10.1134/S1070363219060185

upstream raw materials:

[5-(4-nitro-phenyl)-isoxazol-3-yl]-phenyl ketone

tert-butyl (Z)-2-cyano-3-hydroxy-3-(4-nitrophenyl)-2-propenoate

(E)-3-(4-Dimethylamino-phenyl)-2-(4-nitro-benzoyl)-acrylonitrile

sodium cyanide

Downstream raw materials:

(E)-3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoyl)-acrylonitrile

1-(4-tolyl)-3-(4-nitrophenyl)-5-aminopyrazole

C₁₄H₁₀N₂O₅

3-(4-nitrophenyl)quinoxaline-2-carbonitrile-1,4-dioxide

Refernces

• 1、 Eagon, Scott,Hammill, Jared T.,Sigal, Martina,Ahn, Kevin J.,Tryhorn, Julia E.,Koch, Grant,Belanger, Briana,Chaplan, Cory A.,Loop, Lauren,Kashtanova, Anna S.,Yniguez, Kenya,Lazaro, Horacio,Wilkinson, Steven P.,Rice, Amy L.,Falade, Mofolusho O.,Takahashi, Rei,Kim, Katie,Cheung, Ashley,Dibernardo, Celine,Kimball, Joshua J.,Winzeler, Elizabeth A.,Eribez, Korina,Mittal, Nimisha,Gamo, Francisco-Javier,Crespo, Benigno,Churchyard, Alisje,García-Barbazán, Irene,Baum, Jake,Anderson, Marc O.,Laleu, Beno?t,Guy, R. Kiplin. "Synthesis and Structure-Activity Relationship of Dual-Stage Antimalarial Pyrazolo[3,4- b]pyridines". . p. 11902 - 11919. Retrieved 2020/11/26.
• 2、 -. "Method for preparing ketone nitrile by using metalloporphyrin polymer for catalytic coupling of aromatic alcohol and acetonitrile". Paragraph 0013; 0014. . Retrieved 2018/11/27.