2',4'-Dichlorovalerophenone

Base Information

• Chemical Name: 2',4'-Dichlorovalerophenone
• CAS No.: 61023-66-3
• Molecular Formula: C11H12Cl2O
• Molecular Weight: 231.122
• Hs Code.: 2914700090
• European Community (EC) Number: 612-065-8
• DSSTox Substance ID: DTXSID40450944
• Nikkaji Number: J678.160H
• Wikidata: Q72468543
• Mol file: 61023-66-3.mol

Synonyms:2',4'-Dichlorovalerophenone;61023-66-3;1-(2,4-dichlorophenyl)pentan-1-one;1-Pentanone, 1-(2,4-dichlorophenyl)-;2',4'-Dichloropentanophenone;SCHEMBL1922611;DTXSID40450944;XVWXSWROOLWNCJ-UHFFFAOYSA-N;MFCD09028061;AKOS010522894;AC-8765;1-(2,4-dichloro-phenyl)-pentan-1-one;AS-61750;AM20040848;D3366;FT-0654440;D90180;EN300-117962

Chemical Property of 2',4'-Dichlorovalerophenone

Chemical Property:

• Refractive Index: 1.5350-1.5390
• Boiling Point: 297.278 °C at 760 mmHg
• Flash Point: 124.427 °C
• PSA: 17.07000
• Density: 1.189 g/cm³
• LogP: 4.36630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 230.0265204
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

2'',4''-Dichlorovalerophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl
• Uses: 2',4'-Dichlorovalerophenone (cas# 61023-66-3) is a useful research chemical.

Technology Process of 2',4'-Dichlorovalerophenone

There total 2 articles about 2',4'-Dichlorovalerophenone 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-(2,4-dichlorophenyl)-n-pentan-1-one (61023-66-3)

Guidance literature:

m-Cl2C6H4, Acyl.;

Reference yield:

N-methoxy-N-methyl-2,4-dichlorobenzamide (646528-36-1) + n-butyllithium (109-72-8,29786-93-4) → 1-(2,4-dichlorophenyl)-n-pentan-1-one (61023-66-3)

Guidance literature:

N-methoxy-N-methyl-2,4-dichlorobenzamide; n-butyllithium; In tetrahydrofuran; at 20 ℃; for 4h;

With hydrogenchloride; In tetrahydrofuran; water; ethyl acetate;

Reference yield: 95.0%

1-(2,4-dichlorophenyl)-n-pentan-1-one (61023-66-3) → C11H11BrCl2O (86115-64-2)

Guidance literature:

With bromine; acetic acid; at 20 ℃;

DOI:10.1021/jf8031364

upstream raw materials:

N-methoxy-N-methyl-2,4-dichlorobenzamide

n-butyllithium

Downstream raw materials:

2-Butyl-2-(2,4-dichlorophenyl)oxirane

(2,4-Dichloro-phenyl)-(2-propyl-oxiranyl)-methanone

1-(2,4-Dichloro-phenyl)-2-hydroxy-2-[1,2,4]triazol-1-ylmethyl-pentan-1-one

C₁₁H₁₁BrCl₂O

Refernces