Benzonitrile, 3-(3-oxopropyl)-

Base Information

• Chemical Name: Benzonitrile, 3-(3-oxopropyl)-
• CAS No.: 111376-39-7
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.188
• Hs Code.: 2926909090
• Mol file: 111376-39-7.mol

Synonyms:Benzonitrile, 3-(3-oxopropyl)-;3-(3-Oxopropyl)benzonitrile

Chemical Property of Benzonitrile, 3-(3-oxopropyl)-

Chemical Property:

• Vapor Pressure: 0.00398mmHg at 25°C
• Boiling Point: 279.6°C at 760 mmHg
• Flash Point: 122.9°C
• PSA: 40.86000
• Density: 1.08g/cm³
• LogP: 1.68978

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-oxo-Propyl)-benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 3-(3-oxopropyl)-

There total 5 articles about Benzonitrile, 3-(3-oxopropyl)- 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%

2,2-diethoxy acetic acid (20461-86-3) + 3-cyanostyrene (5338-96-5) → 3-(3-oxopropyl)benzonitrile (111376-39-7)

Guidance literature:

2,2-diethoxy acetic acid; 3-cyanostyrene; With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h; Inert atmosphere; Flow reactor; Irradiation;

With hydrogenchloride; In water; N,N-dimethyl-formamide; for 1h;

DOI:10.1021/jacs.7b05082

Reference yield:

3-iodobenzonitrile (69113-59-3) + allyl alcohol (107-18-6) → 3-(3-oxopropyl)benzonitrile (111376-39-7)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.5h;

Reference yield:

fluorosil + magnesium sulfate (7487-88-9) + 3-(3-cyanophenyl)-1-propanol (83101-13-7) → 3-(3-oxopropyl)benzonitrile (111376-39-7)

Guidance literature:

With pyridine; In dichloromethane;

upstream raw materials:

magnesium sulfate

3-(3-cyanophenyl)-1-propanol

3-cyanobromobenzene

allyl alcohol

Refernces

• 1、 Huang, He,Yu, Chenguang,Zhang, Yueteng,Zhang, Yongqiang,Mariano, Patrick S.,Wang, Wei. "Chemo- and Regioselective Organo-Photoredox Catalyzed Hydroformylation of Styrenes via a Radical Pathway". supporting information. p. 9799 - 9802. Retrieved 2017/08/02.
• 2、 Colbon, Paul,Ruan, Jiwu,Purdie, Mark,Mulholland, Keith,Xiao, Jianliang. "Double arylation of allyl alcohol via a one-pot heck arylation- isomerization-acylation cascade". supporting information; experimental part. p. 5456 - 5459. Retrieved 2011/12/05.