3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione

Base Information

• Chemical Name: 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione
• CAS No.: 15725-14-1
• Molecular Formula: C12H11 Cl O2
• Molecular Weight: 222.671
• NSC Number: 162163
• DSSTox Substance ID: DTXSID80303804
• Nikkaji Number: J1.606.679F
• Mol file: 15725-14-1.mol

Synonyms:15725-14-1;3-[(2-chlorophenyl)methylidene]pentane-2,4-dione;NSC162163;DTXSID80303804;NSC-162163;3-[(2-chlorophenyl)-methylene]-pentane-2,4-dione

Chemical Property of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione

Chemical Property:

• Vapor Pressure: 1.45E-06mmHg at 25°C
• Boiling Point: 398.7°Cat760mmHg
• Flash Point: 168.5°C
• Density: 1.197g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.0447573
• Heavy Atom Count: 15
• Complexity: 278

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=CC=C1Cl)C(=O)C

Technology Process of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione

There total 2 articles about 3-[(2-Chlorophenyl)methylidene]pentane-2,4-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: 96.0%

2-chloro-benzaldehyde (89-98-5) + acetylacetone (123-54-6,81235-32-7) → 3-acetyl-4-(2-chlorophenyl)-3-buten-2-one (15725-14-1)

Guidance literature:

With cross-linked polystyrene-titanium tetrachloride complex; In neat (no solvent); at 60 ℃; for 2.5h;

DOI:10.1016/j.catcom.2018.11.001

Reference yield:

→ 3-acetyl-4-(2-chlorophenyl)-3-buten-2-one (15725-14-1)

Guidance literature:

aus o-Chlorbenzaldehyd und Acetylaceton;

Reference yield: 83.0%

3-acetyl-4-(2-chlorophenyl)-3-buten-2-one (15725-14-1) → C24H22Cl2O4

Guidance literature:

With potassium tert-butylate; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1055/s-0035-1560517

upstream raw materials:

2-chloro-benzaldehyde

acetylacetone

Downstream raw materials:

4-[(2-chloro-phenyl)-methoxy-methyl]-3,5-dimethyl-isoxazole

4-[chloro-(2-chloro-phenyl)-methyl]-3,5-dimethyl-isoxazole

(2-chloro-phenyl)-(3,5-dimethyl-isoxazol-4-yl)-methanol

acetoxy-(2-chloro-phenyl)-(3,5-dimethyl-isoxazol-4-yl)-methane

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