2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile

Base Information

• Chemical Name: 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile
• CAS No.: 77609-10-0
• Molecular Formula: C19H16N2O
• Molecular Weight: 288.349
• DSSTox Substance ID: DTXSID60389469
• Nikkaji Number: J999.973F

Synonyms:77609-10-0;2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile;2-(3-Oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile;HMS1546A16;TimTec1_004240;DTXSID60389469;STK756968;AKOS000566736;AKOS024286945;SR-01000518003;SR-01000518003-1;[1-Phenyl-3-(4-methylphenyl)-3-oxopropyl]malononitrile;1-cyano-4-(4-methylphenyl)-4-oxo-2-phenylbutyl cyanide;[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]propanedinitrile

Chemical Property of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile

Chemical Property:

• PSA: 64.65000
• LogP: 4.01496
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 288.126263138
• Heavy Atom Count: 22
• Complexity: 450

Purity/Quality:

2-(3-Oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)C(C#N)C#N

Technology Process of 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile

There total 2 articles about 2-(3-Oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile 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: 85.0%

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one (14802-30-3) + malononitrile (109-77-3) → 2-(3-oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile (77609-10-0)

Guidance literature:

With Thermomyces lanuginosus lipase immobilized on the surface of Fe₃O₄/ZnO core/shell magnetic nanoparticles; In 2,2,4-trimethylpentane; at 40 ℃; for 1h; Enzymatic reaction;

DOI:10.1016/j.molcatb.2013.12.006

Reference yield: 81.0%

3-phenyl-1-p-tolylprop-2-en-1-one (4224-96-8) + malononitrile (109-77-3) → 2-(3-oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile (77609-10-0)

Guidance literature:

With potassium fluoride on basic alumina; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

DOI:10.1080/00397919808004960

Reference yield: 98.0%

2-(3-oxo-1-phenyl-3-(p-tolyl)propyl)malononitrile (77609-10-0) → 2-Bromo-2-(3-oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile (94360-18-6)

Guidance literature:

With bromine; potassium acetate; In chloroform; at 25 ℃; for 0.5h;

upstream raw materials:

3-phenyl-1-p-tolylprop-2-en-1-one

malononitrile

(E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one

Downstream raw materials:

3-cyano-4-phenyl-6-p-methylphenyl-pyridin-2(1H)-thione

2-Bromo-4-phenyl-6-p-tolyl-nicotinonitrile

2-Bromo-2-(3-oxo-1-phenyl-3-p-tolyl-propyl)-malononitrile

(2R,3S)-2-(4-Methyl-benzoyl)-3-phenyl-cyclopropane-1,1-dicarbonitrile

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 77609-10-0 Propanedinitrile, [3-(4-methylphenyl)-3-oxo-1-phenylpropyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send