1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione

Base Information

• Chemical Name: 1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione
• CAS No.: 143033-85-6
• Molecular Formula: C₁₇H₁₃ClO₃
• Molecular Weight: 300.741
• DSSTox Substance ID: DTXSID40576613
• Wikidata: Q82466412
• Mol file: 143033-85-6.mol

Synonyms:143033-85-6;1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione;DTXSID40576613;1-[4-(3-chloropropanoyl)phenyl]-2-phenylethanedione

Chemical Property of 1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 300.0553220
• Heavy Atom Count: 21
• Complexity: 391

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)CCCl

Technology Process of 1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione

There total 8 articles about 1-[4-(3-Chloropropanoyl)phenyl]-2-phenylethane-1,2-dione 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-<4-(1-hydroxy-3-chloropropyl)phenyl>-2-phenylethanedione (143033-90-3) → 1-(4-methoxycarbonylphenyl)-3-chloro-1-propanone (143033-93-6) + 1-<4-(3-chloropropionyl)phenyl>-2-phenylethanedione (143033-85-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 6.5h; Ambient temperature;

DOI:10.1135/cccc19921085

Reference yield:

1-<4-(1-bromo-3-chloropropyl)phenyl>-2-phenylethanedione (143033-88-9) → 1-<4-(3-chloropropionyl)phenyl>-2-phenylethanedione (143033-85-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 2.9 g / CH₃COOK / 9 h / Heating

2: NaOH / methanol / 0.17 h / Ambient temperature

3: 9.5 g / pyridinium chlorochromate (PCC) / CH₂Cl₂ / 21.5 h / Ambient temperature

With sodium hydroxide; potassium acetate; pyridinium chlorochromate; In methanol; dichloromethane;

DOI:10.1135/cccc19921085

Reference yield:

1-<4-(1-acetyloxy-3-chloropropyl)phenyl>-2-phenylethanedione (143033-89-0) → 1-<4-(3-chloropropionyl)phenyl>-2-phenylethanedione (143033-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / methanol / 0.17 h / Ambient temperature

2: 9.5 g / pyridinium chlorochromate (PCC) / CH₂Cl₂ / 21.5 h / Ambient temperature

With sodium hydroxide; pyridinium chlorochromate; In methanol; dichloromethane;

DOI:10.1135/cccc19921085

upstream raw materials:

1-<4-(1-hydroxy-3-chloropropyl)phenyl>-2-phenylethanedione

1-<4-(1-bromo-3-chloropropyl)phenyl>-2-phenylethanedione

1-<4-(1-acetyloxy-3-chloropropyl)phenyl>-2-phenylethanedione

phenylpropyl chloride