1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE

Base Information

• Chemical Name: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE
• CAS No.: 128486-09-9
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.633
• Mol file: 128486-09-9.mol

Synonyms:1,3-Butanedione,1-(3-chlorophenyl);1-(3-chlorophenyl)-1,3-butanedione;3'-chlorobenzoylacetone;m-chlorobenzoylacetone;

Chemical Property of 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE

Chemical Property:

• Vapor Pressure: 0.000609mmHg at 25°C
• Melting Point: 40-43 °C
• Boiling Point: 310.2oC at 760 mmHg
• PKA: 8.14±0.10(Predicted)
• Flash Point: 130.3oC
• PSA: 34.14000
• Density: 1.205g/cm3
• LogP: 2.50180

Purity/Quality:

95% ^*data from raw suppliers

1-(3-Chlorophenyl)-1,3-butanedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE

There total 8 articles about 1-(3-CHLORO-PHENYL)-BUTANE-1,3-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: 87.0%

3'-Chloroacetophenone (99-02-5) → 1-(3-chlorophenyl)-1,3-butanedione (128486-09-9)

Guidance literature:

With sodium chloride; In tetrahydrofuran; ice-water; di-isopropyl ether; ethyl acetate;

Reference yield: 81.0%

m-Chlorobenzoyl chloride (618-46-2) + acetylacetone (123-54-6,81235-32-7) → 1-(3-chlorophenyl)-1,3-butanedione (128486-09-9)

Guidance literature:

With samarium (III) iodide; In acetonitrile; at -5 ℃; for 3h;

DOI:10.1080/00397919608004552

Reference yield: 52.0%

ethyl acetate (141-78-6) + 3'-Chloroacetophenone (99-02-5) → 1-(3-chlorophenyl)-1,3-butanedione (128486-09-9)

Guidance literature:

With sodium hydride; at 0 - 20 ℃; for 12h;

DOI:10.1002/adsc.202100228

upstream raw materials:

m-Chlorobenzoyl chloride

acetylacetone

ethyl acetate

3'-Chloroacetophenone

Downstream raw materials:

C₁₆H₁₁ClN₃O₈^(1-)

4-(3-Chloro-benzoyl)-5-methyl-isoxazole-3-carboxylic acid ethyl ester

C₁₈H₁₅ClN₂O₂S

3,4-bis(3-chlorobenzoyl)hexane-2,5-dione

Refernces

• 1、 Guo, Quanping,Wang, Mengran,Wang, Rui,Xu, Zhaoqing,Yao, Haiyan. "Discovery of pyrazole N-aryl sulfonate: A novel and highly potent cyclooxygenase-2 (COX-2) selective inhibitors". . . Retrieved 2021/08/25.
• 2、 -. "Pyrazole compound containing N-aryl sulfonate and synthesis and application thereof". Paragraph 0036. . Retrieved 2018/07/10.