2-(4-Isopropylbenzylidene)-N(1),N(3)-bis(3-(trifluoromethyl)phenyl)malonamide

Base Information

• Chemical Name: 2-(4-Isopropylbenzylidene)-N(1),N(3)-bis(3-(trifluoromethyl)phenyl)malonamide
• CAS No.: 372970-60-0
• Molecular Formula: C27H22F6N2O2
• Molecular Weight: 520.474
• European Community (EC) Number: 655-818-6
• Mol file: 372970-60-0.mol

Synonyms:2-(4-ISOPROPYLBENZYLIDENE)-N(1),N(3)-BIS(3-(TRIFLUOROMETHYL)PHENYL)MALONAMIDE;372970-60-0;SCHEMBL5141404;STK809864;AKOS002163033;N,N'-Bis-(3-trifluoromethyl-phenyl)-2-(4-isopropyl-benzylidene)-malonamide;2-[4-(propan-2-yl)benzylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

Chemical Property of 2-(4-Isopropylbenzylidene)-N(1),N(3)-bis(3-(trifluoromethyl)phenyl)malonamide

Chemical Property:

• XLogP3: 8.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 520.15854692
• Heavy Atom Count: 37
• Complexity: 765

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Technology Process of 2-(4-Isopropylbenzylidene)-N(1),N(3)-bis(3-(trifluoromethyl)phenyl)malonamide

There total 1 articles about 2-(4-Isopropylbenzylidene)-N(1),N(3)-bis(3-(trifluoromethyl)phenyl)malonamide 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: 28.0%

malonic acid bis-(3-trifluoromethyl-anilide) (402-21-1) + (4-isopropylbenzaldehyde) (122-03-2) → N,N'-bis-(3-trifuoromethyl-phenyl)-2-(4-isopropyl-benzylidene)-malonamide (372970-60-0)

Guidance literature:

With piperidine; acetic acid; In tetrahydrofuran; for 1h; Heating / reflux;

Reference yield: 96.0%

morpholine (110-91-8,99108-56-2) + N,N'-bis-(3-trifuoromethyl-phenyl)-2-(4-isopropyl-benzylidene)-malonamide (372970-60-0) → N,N'-bis-(3-trifuoromethyl-phenyl)-2-[(4-isopropyl-phenyl)-morpholin-4-yl-methyl]-malonamide (850797-44-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 4h;

Reference yield: 76.0%

N,N'-bis-(3-trifuoromethyl-phenyl)-2-(4-isopropyl-benzylidene)-malonamide (372970-60-0) → N,N'-bis-(3-trifuoromethyl-phenyl)-2-(4-isopropyl-benzyl)-malonamide (850797-34-1)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; for 20h; under 2585.81 Torr;

upstream raw materials:

malonic acid bis-(3-trifluoromethyl-anilide)

(4-isopropylbenzaldehyde)

Downstream raw materials:

N,N'-bis-(3-trifuoromethyl-phenyl)-2-[(4-isopropyl-phenyl)-morpholin-4-yl-methyl]-malonamide

N,N'-bis-(3-trifuoromethyl-phenyl)-2-(4-isopropyl-benzyl)-malonamide

Refernces