3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Base Information

• Chemical Name: 3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
• CAS No.: 166883-86-9
• Molecular Formula: C₁₅H₁₈ClNO
• Molecular Weight: 263.767
• DSSTox Substance ID: DTXSID601331715
• ChEMBL ID: CHEMBL1448643
• Mol file: 166883-86-9.mol

Synonyms:3-[(3-chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one;3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one;166883-86-9;MLS001196886;CHEMBL1448643;DTXSID601331715;HMS2863I07;3-(3-chloro-4-methylanilino)-5,5-dimethyl-2-cyclohexen-1-one;STK007825;AKOS001152233;SMR000555830;EU-0043396;AN-023/15005006;SR-01000479711;SR-01000479711-1;Z57206717

Chemical Property of 3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.1076919
• Heavy Atom Count: 18
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)Cl

Technology Process of 3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

There total 1 articles about 3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one 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: 90.0%

dimedone (126-81-8) + 3-chloro-p-toluidine (95-74-9,827571-80-2) → 3-(3-chloro-4-methylphenylamino)-5,5-dimethylcyclohex-2-enone (166883-86-9)

Guidance literature:

With phosphomolybdic acid hydrate; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1080/00397911.2010.524339

Reference yield: 94.0%

tetrahydrofuran-2,4-dione (4971-56-6) + 4-bromo-benzaldehyde (1122-91-4) + 3-(3-chloro-4-methylphenylamino)-5,5-dimethylcyclohex-2-enone (166883-86-9) → 9-(4-bromophenyl)-4-(3-chloro-4-methylphenyl)-6,6-dimethyl-5,6,7,9-tetrahydrofuro[3,4-b]quinoline-1,8(3H,4H)-dione (1357790-98-7)

Guidance literature:

With L-proline; In ethanol; at 80 ℃; for 2h;

DOI:10.1002/jhet.782

Reference yield: 94.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 2,2-dihydroxy-1-phenyl-ethanone (1075-06-5) + 3-(3-chloro-4-methylphenylamino)-5,5-dimethylcyclohex-2-enone (166883-86-9) → 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6,6-dimethyl-1,2-diphenyl-6,7-dihydro-1H-indol-4(5H)-one (1431986-11-6)

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1021/co4000198

upstream raw materials:

dimedone

3-chloro-p-toluidine

Downstream raw materials:

3-[(3-Chloro-4-methyl-phenyl)-methyl-amino]-5,5-dimethyl-cyclohex-2-enone

2-amino-1-(3-chloro-4-methylphenyl)-7,7-dimethyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

9-(4-bromophenyl)-4-(3-chloro-4-methylphenyl)-6,6-dimethyl-5,6,7,9-tetrahydrofuro[3,4-b]quinoline-1,8(3H,4H)-dione

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6,6-dimethyl-1,2-diphenyl-6,7-dihydro-1H-indol-4(5H)-one

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