4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE

Base Information

• Chemical Name: 4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE
• CAS No.: 188851-50-5
• Molecular Formula: C11H10ClNO
• Molecular Weight: 207.65600
• Hs Code.: 2926909090
• Mol file: 188851-50-5.mol

Synonyms:4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE;

Chemical Property of 4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE

Chemical Property:

• Vapor Pressure: 5.64E-06mmHg at 25°C
• Boiling Point: 380oC at 760 mmHg
• Flash Point: 183.6oC
• PSA: 40.86000
• Density: 1.19g/cm3
• LogP: 2.75998

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-1-(4-cyanophenyl)-1-oxobutane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE

There total 2 articles about 4-CHLORO-1-(4-CYANOPHENYL)-1-OXOBUTANE 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: 73.0%

4-bromobenzenecarbonitrile (623-00-7) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-(4-chlorobutanoyl)benzonitrile (188851-50-5)

Guidance literature:

With n-butyllithium; 2Li⁽¹⁺⁾*MnBr₄^(2-)=Li₂MnBr₄; copper(l) chloride; In tetrahydrofuran; diethyl ether; pentane;

DOI:10.1016/S0040-4039(97)00248-7

Reference yield: 40.0%

4-(1-hydroxycyclobutyl)benzenecarbonitrile (214759-68-9) → 4-(4-chlorobutanoyl)benzonitrile (188851-50-5)

Guidance literature:

With manganese(II) triflate; lithium perchlorate; acetic acid; magnesium chloride; In acetonitrile; at 25 ℃; for 3.5h; Inert atmosphere; Electrochemical reaction; Sealed tube;

DOI:10.1021/acs.orglett.9b03652

Reference yield: 72.0%

4-(4-chlorobutanoyl)benzonitrile (188851-50-5) → 4-(4-iodobutanoyl)benzonitrile

Guidance literature:

With sodium iodide; In acetone; Heating;

DOI:10.1021/jo982317b

upstream raw materials:

4-bromobenzenecarbonitrile

4-Chlorobutanoyl chloride

4-(1-hydroxycyclobutyl)benzenecarbonitrile

Refernces

• 1、 Klement, Ingo,Stadtmueller, Heinz,Knochel, Paul,Cahiez, Gerard. "Preparation and reactivity of functionalized aryl and alkenylmanganese halides". . p. 1927 - 1930. Retrieved 2007/10/03.