2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl

Base Information

• Chemical Name: 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl
• CAS No.: 100445-51-0
• Molecular Formula: C14H16FNO
• Molecular Weight: 233.286
• Mol file: 100445-51-0.mol

Synonyms:2-Cyclohexen-1-one,3-[(4-fluorophenyl)amino]-5,5-dimethyl;3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one;3-(4-Fluoro-phenylamino)-5,5-dimethyl-cyclohex-2-enone;T0500-1932;5,5-dimethyl-3-(4-fluorophenylamino)-2-cyclohexenone;

Chemical Property of 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl

Chemical Property:

• PSA: 29.10000
• LogP: 3.58360

Purity/Quality:

99% ^*data from raw suppliers

3-[(4-Fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl

There total 1 articles about 2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl 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: 95.0%

dimedone (126-81-8) + 4-fluoroaniline (371-40-4) → 3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (100445-51-0)

Guidance literature:

In 1,2-dichloro-ethane; at 25 - 30 ℃; for 5h;

DOI:10.1016/j.ejmech.2019.111601

Reference yield: 91.0%

BARBITURIC ACID (67-52-7,944357-77-1) + 5-Bromo-1H-indole-2,3-dione (87-48-9) + 3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (100445-51-0) → 5-(9-bromo-5-(4-fluorophenyl)-5a-hydroxy-3,3-dimethyl-1-oxo-1,3,4,5,5a,6-hexahydro-2H-indolo[2,3-b]indol-10b-yl)pyrimidine-2,4,6(1H,3H,5H)-trione

Guidance literature:

In ethanol; for 2h; Milling;

DOI:10.1016/j.tetlet.2020.152383

Reference yield: 90.0%

BARBITURIC ACID (67-52-7,944357-77-1) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3-[(4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (100445-51-0) → 5-(5-(4-fluorophenyl)-5a-hydroxy-3,3-dimethyl-1-oxo-1,3,4,5,5a,6-hexahydro-2H-indolo[2,3-b]indol-10b-yl)pyrimidine-2,4,6(1H,3H,5H)-trione

Guidance literature:

In ethanol; for 2h; Milling;

DOI:10.1016/j.tetlet.2020.152383

upstream raw materials:

dimedone

4-fluoroaniline

Downstream raw materials:

2-amino-7,7-dimethyl-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-4-phenyl-5-oxo-quinoline-3-carbonitrile