(2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide

Base Information

• Chemical Name: (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide
• CAS No.: 98681-35-7
• Molecular Formula: C₁₇H₁₇NO
• Molecular Weight: 251.328
• European Community (EC) Number: 645-008-0
• DSSTox Substance ID: DTXSID10350503
• Mol file: 98681-35-7.mol

Synonyms:(2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide;98681-35-7;N-(2,5-dimethylphenyl)-3-phenylacrylamide;(E)-N-(2,5-Dimethylphenyl)-3-phenyl-prop-2-enamide;(E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide;DTXSID10350503;N-(2,5-Dimethylphenyl)cinnamamide;STK019392;AKOS000488588;CS-0367651;(2E)-N-(2,5-dimethylphenyl)-3-phenyl-2-propenamide

Chemical Property of (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 251.131014166
• Heavy Atom Count: 19
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=O)C=CC2=CC=CC=C2
• Isomeric SMILES: CC1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC=CC=C2

Technology Process of (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide

There total 3 articles about (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide 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: 91.0%

(E)-3-phenylacrylic acid (140-10-3) + 2,5-Dimethylaniline (95-78-3) → (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide (98681-35-7)

Guidance literature:

With phosphorus trichloride; In chlorobenzene; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.3390/ijms19082318

Reference yield:

2,5-Dimethylaniline (95-78-3) + Cinnamic acid (621-82-9) → Zimtsaeure-(2,5-dimethyl-anilid) (98681-35-7)

Guidance literature:

With phosphorus trichloride; In chlorobenzene; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.3390/molecules24244531

Reference yield:

→ (2E)-N-(2,5-dimethylphenyl)-3-phenylprop-2-enamide (98681-35-7)

Guidance literature:

Malonsaeure-mono-(2,5-dimethyl-anilid), Benzaldehyd, Pyridin (wenig) ;

upstream raw materials:

2,5-Dimethylaniline

Cinnamic acid

(E)-3-phenylacrylic acid

Downstream raw materials:

2-bromo-5,8-dimethylquinolinyl-3-boronic acid