1-(4-Chlorophenyl)1,3-butanedione

Base Information

• Chemical Name: 1-(4-Chlorophenyl)1,3-butanedione
• CAS No.: 6302-55-2
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.633
• Hs Code.: 2914700090
• Mol file: 6302-55-2.mol

Synonyms:1,3-Butanedione,1-(p-chlorophenyl)- (6CI,7CI,8CI);(4-Chlorobenzoyl)acetone;(p-Chlorobenzoyl)acetone;1-(4-Chlorophenyl)-1,3-butanedione;1-(4-Chlorophenyl)-3-methyl-1,3-propanedione;1-(p-Chlorophenyl)-3-methyl-1,3-propanedione;1-(p-Chlorophenyl)butane-1,3-dione;4'-Chloro-2-acetylacetophenone;NSC 42232;NSC 42235;

Chemical Property of 1-(4-Chlorophenyl)1,3-butanedione

Chemical Property:

• Vapor Pressure: 0.000544mmHg at 25°C
• Melting Point: 73-74 °C
• Refractive Index: 1.531
• Boiling Point: 312 °C at 760 mmHg
• PKA: 8.41±0.10(Predicted)
• Flash Point: 131.1 °C
• PSA: 34.14000
• Density: 1.205 g/cm³
• LogP: 2.50180
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99.3% ^*data from raw suppliers

1-(4-chlorophenyl)butane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(4-Chlorophenyl)1,3-butanedione

There total 14 articles about 1-(4-Chlorophenyl)1,3-butanedione 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: 92.0%

4-chlorobenzoyl cyanide (13014-48-7) + acetone (67-64-1) → 1-(4'-chlorophenyl)-1,3-butanedione (6302-55-2)

Guidance literature:

L-proline; at 20 ℃; for 10h;

DOI:10.1016/j.tetlet.2005.10.036

Reference yield: 77.77%

para-chloroacetophenone (99-91-2) + ethyl acetate (141-78-6) → 1-(4'-chlorophenyl)-1,3-butanedione (6302-55-2)

Guidance literature:

With sodium ethanolate; In ethanol; Reflux;

DOI:10.1155/2010/947215

Reference yield: 76.0%

acetic anhydride (108-24-7) + para-chloroacetophenone (99-91-2) → 1-(4'-chlorophenyl)-1,3-butanedione (6302-55-2)

Guidance literature:

With tetrachlorosilane; zinc(II) chloride; In dichloromethane; at 25 ℃; for 5h;

DOI:10.1080/104265090507920

upstream raw materials:

acetic anhydride

para-chloroacetophenone

ethyl acetate

6-(4-chlorophenyl)-4-hydroxy-2H-pyran-2-one

Downstream raw materials:

3-(4-chlorobenzoyl)pentane-2,4-dione

1-(4-chlorophenyl)-2-diazobutane-1,3-dione

C₁₆H₁₁ClN₃O₈^(1-)

3-Cyan-4-methyl-6-(p-chlorophenyl)-pyrid-2(1H)-thion

Refernces

• 1、 Wu, Dehua,Fang, Xinyi,Song, Jintong,Qu, Lang,Zhou, Xiangge,Xiang, Haifeng,Wang, Jun,Liu, Jin. "Multi-stimuli-responsive fluorescence of axially chiral 4-ene-β-Diketones". . . Retrieved 2020/10/02.
• 2、 Balamurugan, Rengarajan,Manojveer, Seetharaman,Tarigopula, Chandrahas. "Synthesis of Highly Substituted Biaryls by the Construction of a Benzene Ring via in Situ Formed Acetals". . p. 11871 - 11883. Retrieved 2021/09/13.