3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde

Base Information

• Chemical Name: 3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde
• CAS No.: 241155-88-4
• Molecular Formula: C₁₆H₁₄O
• Molecular Weight: 222.287
• DSSTox Substance ID: DTXSID101246331
• Nikkaji Number: J1.140.419G
• Mol file: 241155-88-4.mol

Synonyms:DTXSID101246331;241155-88-4;3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde

Chemical Property of 3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C=CC2=CC(=CC=C2)C=O
• Isomeric SMILES: CC1=CC=CC=C1/C=C/C2=CC(=CC=C2)C=O

Technology Process of 3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde

There total 6 articles about 3-[(1E)-2-(2-Methylphenyl)ethenyl]benzaldehyde 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%

C18H20O2 (241155-86-2) → (E)-3-[2-(2-methoxyphenyl)ethenyl]benzaldehyde (241155-88-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(99)00876-X

Reference yield: 54.0%

diethyl 2-methylbenzylphosphonate (62778-16-9) + 3-(dimethoxymethyl)benzaldehyde (100501-45-9) → (E)-3-[2-(2-methoxyphenyl)ethenyl]benzaldehyde (241155-88-4)

Guidance literature:

diethyl 2-methylbenzylphosphonate; 3-(dimethoxymethyl)benzaldehyde; With sodium hydride; In 1,2-dimethoxyethane; for 1h; Heating;

With hydrogenchloride; In methanol; diethyl ether; for 2h;

DOI:10.1039/a903451j

Reference yield:

1-chloromethyl-2-methylbenzene (552-45-4) → (E)-3-[2-(2-methoxyphenyl)ethenyl]benzaldehyde (241155-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 64 percent / 2 h / Heating

2.1: NaH / 1,2-dimethoxy-ethane / 1 h / Heating

2.2: 54 percent / HCl / methanol; diethyl ether / 2 h

With sodium hydride; In 1,2-dimethoxyethane; 1.1: Substitution / 2.1: Condensation / 2.2: Hydrolysis;

DOI:10.1039/a903451j

upstream raw materials:

C₁₈H₂₀O₂

diethyl 2-methylbenzylphosphonate

3-(dimethoxymethyl)benzaldehyde

m-bromobenzoic aldehyde

Downstream raw materials:

(E,E)-3-[2-(2-methylphenyl)ethenyl]-N-phenylbenzaldimine