5-(4-tert-butylphenyl)cyclohexane-1,3-dione

Base Information

• Chemical Name: 5-(4-tert-butylphenyl)cyclohexane-1,3-dione
• CAS No.: 946686-29-9
• Molecular Formula: C₁₆H₂₀O₂
• Molecular Weight: 244.334
• Mol file: 946686-29-9.mol

Synonyms:5-(4-tert-butylphenyl)cyclohexane-1,3-dione

Chemical Property of 5-(4-tert-butylphenyl)cyclohexane-1,3-dione

Chemical Property:

• Boiling Point: 394.6±42.0 °C(Predicted)
• PKA: 4.99±0.20(Predicted)
• Density: 1.060±0.06 g/cm3(Predicted)

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-tert-Butylphenyl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(4-tert-butylphenyl)cyclohexane-1,3-dione

There total 2 articles about 5-(4-tert-butylphenyl)cyclohexane-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:

C14H18O (65178-75-8) + diethyl malonate (105-53-3) → 5-(4-tert-butylphenyl)cyclohexane-1,3-dione (946686-29-9)

Guidance literature:

C₁₄H₁₈O; diethyl malonate; With sodium ethanolate; In ethanol; for 12h;

With sodium hydroxide; In ethanol; water; for 12h;

With hydrogenchloride; In diethyl ether; water;

DOI:10.1016/j.bmc.2011.11.039

Reference yield:

4-tert-Butylbenzaldehyde (939-97-9) → 5-(4-tert-butylphenyl)cyclohexane-1,3-dione (946686-29-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 12 h / 20 °C

2.1: sodium ethanolate / ethanol / 12 h

2.2: 12 h

With sodium ethanolate; In tetrahydrofuran; ethanol;

DOI:10.1016/j.bmc.2011.11.039

Reference yield:

methyl 4-phenyl-2-oxo-3-butenoate (107969-78-8,6395-86-4) + 5-(4-tert-butylphenyl)cyclohexane-1,3-dione (946686-29-9) → C27H30O5

Guidance literature:

methyl 4-phenyl-2-oxo-3-butenoate; With 3-{[(S)-{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methyl]amino}-4-[(2-fluorophenyl)amino]cyclobut-3-ene-1,2-dione; In dichloromethane; at 20 ℃; for 0.25h;

5-(4-tert-butylphenyl)cyclohexane-1,3-dione; In dichloromethane; at 20 ℃; for 48h; enantioselective reaction;

DOI:10.1002/adsc.202000455

upstream raw materials:

C₁₄H₁₈O

diethyl malonate

4-tert-Butylbenzaldehyde

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