5-Chloro-1-(4-cyanophenyl)-1-oxopentane

Base Information

• Chemical Name: 5-Chloro-1-(4-cyanophenyl)-1-oxopentane
• CAS No.: 210962-46-2
• Molecular Formula: C12H12ClNO
• Molecular Weight: 221.68
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20590993
• Wikidata: Q82484626
• Mol file: 210962-46-2.mol

Synonyms:5-CHLORO-1-(4-CYANOPHENYL)-1-OXOPENTANE;210962-46-2;4-(5-chloropentanoyl)benzonitrile;MFCD07700077;4-(5-chloro-1-oxopentyl)benzonitrile;SCHEMBL3303569;DTXSID20590993;JVUPLBNFSQWJOF-UHFFFAOYSA-N;AKOS016022525;Benzonitrile, 4-(5-chloro-1-oxopentyl)-;DB-094510

Chemical Property of 5-Chloro-1-(4-cyanophenyl)-1-oxopentane

Chemical Property:

• Vapor Pressure: 2.7E-06mmHg at 25°C
• Boiling Point: 390.2°C at 760 mmHg
• Flash Point: 189.8°C
• PSA: 40.86000
• Density: 1.16g/cm³
• LogP: 3.15008
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 221.0607417
• Heavy Atom Count: 15
• Complexity: 248

Purity/Quality:

96% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)C(=O)CCCCCl

Technology Process of 5-Chloro-1-(4-cyanophenyl)-1-oxopentane

There total 1 articles about 5-Chloro-1-(4-cyanophenyl)-1-oxopentane 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:

1-iodo-3-chloro-propane (6940-76-7) + 4-cyanophenyl methyl ketone (1443-80-7) → 5-chloro-1-(4-cyanophenyl)-1-oxopentane (210962-46-2)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; hexane;

Reference yield:

5-chloro-1-(4-cyanophenyl)-1-oxopentane (210962-46-2) → C12H11BrClNO (1065008-54-9)

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; for 7h; Reflux;

Reference yield:

5-chloro-1-(4-cyanophenyl)-1-oxopentane (210962-46-2) + m-cyanophenol (873-62-1) → 3-[5-(4-cyanophenyl)-5-oxopentyl]oxybenzonitrile

Guidance literature:

With hydrogenchloride; potassium iodide; potassium carbonate; In N-methyl-acetamide;

upstream raw materials:

1-iodo-3-chloro-propane

4-cyanophenyl methyl ketone

Downstream raw materials:

4-(4,5,6,7-tetrahydro-1H-[1,2]diazepin-3-yl)-benzonitrile

C₁₂H₁₁BrClNO