2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-

Base Information

• Chemical Name: 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-
• CAS No.: 57982-85-1
• Molecular Formula: C₁₂H₁₀Cl₂O₂
• Molecular Weight: 257.116
• NSC Number: 162169
• DSSTox Substance ID: DTXSID30206710
• Nikkaji Number: J65.577E

Synonyms:57982-85-1;2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-;3-(3,4-Dichlorobenzylidene)-2,4-pentanedione;BRN 5006642;NSC162169;3-[(3,4-Dichlorophenyl)methylene]-2,4-pentanedione;SCHEMBL7756019;DTXSID30206710;JUAFEEYZHUVDBA-UHFFFAOYSA-N;NSC 162169;NSC-162169;2, 3-[(3,4-dichlorophenyl)methylene]-

Chemical Property of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-

Chemical Property:

• Vapor Pressure: 6.99E-08mmHg at 25°C
• Boiling Point: 438.3°C at 760 mmHg
• Flash Point: 184.8°C
• Density: 1.299g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.0057849
• Heavy Atom Count: 16
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C(=O)C

Technology Process of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-

There total 1 articles about 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- 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:

3,4-dichlorobenzaldehyde (6287-38-3) + acetylacetone (123-54-6,81235-32-7) → 3-[(3,4-Dichlorophenyl)methylene]-2,4-pentanedione (57982-85-1)

Guidance literature:

Reference yield: 44.0%

N,N-dimethyl(methylene)ammonium chloride (30354-18-8) + 3-[(3,4-Dichlorophenyl)methylene]-2,4-pentanedione (57982-85-1) → 4-(3,4-Dichloro-benzylidene)-1,7-bis-dimethylamino-heptane-3,5-dione; hydrochloride (87497-26-5)

Guidance literature:

In acetonitrile; at 37 ℃; two molar equivalents of dimethyl(methylene)ammonium chloride;

upstream raw materials:

3,4-dichlorobenzaldehyde

acetylacetone

Downstream raw materials:

4-(3,4-Dichloro-benzylidene)-1,7-bis-dimethylamino-heptane-3,5-dione; hydrochloride

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