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

Base Information

• Chemical Name: 2-cyclohexen-1-one, 3-[(3-chlorophenyl)amino]-5,5-dimethyl
• CAS No.: 50685-29-5
• Molecular Formula: C14H16ClNO
• Molecular Weight: 249.74
• Mol file: 50685-29-5.mol

Synonyms:3-(3'-Chloranilin)-5.5-dimethylcyclohex-2-en-1-on;3-m-Chloranilino-5,5-dimethyl-2-cyclohexenon;

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

Chemical Property:

• PSA: 29.10000
• LogP: 4.09790

Purity/Quality:

99% ^*data from raw suppliers

3-[(3-Chlorophenyl)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-[(3-chlorophenyl)amino]-5,5-dimethyl

There total 2 articles about 2-cyclohexen-1-one, 3-[(3-chlorophenyl)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: 93.0%

dimedone (126-81-8) + 3-chloro-aniline (108-42-9) → 3-(3-Chloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (50685-29-5)

Guidance literature:

With silica sulfuric acid; In acetonitrile; for 0.0166667h; Microwave irradiation;

DOI:10.1080/10426507.2010.492365

Reference yield:

→ 3-(3-Chloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (50685-29-5)

Guidance literature:

Dimedon, m-Chloranilin / H2O-Abscheidung;

Reference yield: 92.0%

5,5-dihydroxy-pyrimidine-2,4,6-trione (3237-50-1) + 3-(3-Chloro-phenylamino)-5,5-dimethyl-cyclohex-2-enone (50685-29-5) → N-carbamoyl-1-(3-chlorophenyl)-3-hydroxy-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-indole-3-carboxamide (1414774-41-6)

Guidance literature:

In acetic acid; at 20 ℃; for 0.283333h; regioselective reaction;

DOI:10.1016/j.tetlet.2012.09.120

upstream raw materials:

dimedone

3-chloro-aniline

Downstream raw materials:

10-(3-chlorophenyl)-9-(2-(3-chlorophenylamino)-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3-dimethyl-3,4,9,10-tetrahydroacridin-1(2H)-one

1-(3-chlorophenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione

C₂₄H₂₂ClN₃O

N-carbamoyl-1-(3-chlorophenyl)-3-hydroxy-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-indole-3-carboxamide

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