3-[(4-Methylphenyl)amino]cyclohex-2-en-1-one

Base Information

• Chemical Name: 3-[(4-Methylphenyl)amino]cyclohex-2-en-1-one
• CAS No.: 36646-74-9
• Molecular Formula: C13H15NO
• Molecular Weight: 201.268
• DSSTox Substance ID: DTXSID801255559
• Nikkaji Number: J842.393H
• ChEMBL ID: CHEMBL4561580
• Mol file: 36646-74-9.mol

Synonyms:3-[(4-methylphenyl)amino]cyclohex-2-en-1-one;36646-74-9;3-(4-methylanilino)cyclohex-2-en-1-one;3-(p-Tolylamino)cyclohex-2-enone;SCHEMBL9275585;CHEMBL4561580;3-p-Tolylamino-cyclohex-2-enone;VMGZMSSSOYIPIB-UHFFFAOYSA-N;DTXSID801255559;MFCD01109145;STK897898;AKOS004904170;3-(P-tolylamino)cyclohex-2-en-1-one;3-(4-Methylanilino)-2-cyclohexen-1-one;LS-04270;CS-0323345;3-[(4-Methylphenyl)amino]-2-cyclohexen-1-one;3-[(4-methyl-phenyl)amino]cyclohex-2-en-1-one

Chemical Property of 3-[(4-Methylphenyl)amino]cyclohex-2-en-1-one

Chemical Property:

• Melting Point: 138-139 °C
• Boiling Point: 339.6±42.0 °C(Predicted)
• PKA: 0.94±0.20(Predicted)
• PSA: 0.00000
• Density: 1.147±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.115364102
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

3-[(4-Methylphenyl)amino]cyclohex-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC(=O)CCC2

Technology Process of 3-[(4-Methylphenyl)amino]cyclohex-2-en-1-one

There total 3 articles about 3-[(4-Methylphenyl)amino]cyclohex-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: 100.0%

1,3-cylohexanedione (504-02-9) + p-toluidine (106-49-0,12221-03-3) → 3-(p-tolylamino)cyclohex-2-en-1-one (36646-74-9)

Guidance literature:

at 20 ℃; for 0.5h;

Reference yield: 85.0%

p-toluidine (106-49-0,12221-03-3) + cyclohexane-1,2-dione (765-87-7) → 3-(p-tolylamino)cyclohex-2-en-1-one (36646-74-9)

Guidance literature:

at 140 ℃; for 0.333333h;

DOI:10.1002/(SICI)1097-458X(199705)35:5<311::AID-OMR94>3.0.CO;2-M

Reference yield:

→ 3-(p-tolylamino)cyclohex-2-en-1-one (36646-74-9)

Guidance literature:

Cyclohexan-1.3-dion, p-Toluidin;

upstream raw materials:

p-toluidine

cyclohexane-1,2-dione

1,3-cylohexanedione

Downstream raw materials:

7,8-dihydro-10-(3,4-dimethoxyphenyl)-5-p-tolyl-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione

2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

C₂₃H₂₀N₄O₃

7,8-dihydro-10-(thiophen-2-yl)-5-p-tolyl-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 36646-74-9 2-Cyclohexen-1-one, 3-[(4-methylphenyl)amino]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send