4-Methyl-1-phenyl-1,3-pentadiene

Base Information

• Chemical Name: 4-Methyl-1-phenyl-1,3-pentadiene
• CAS No.: 72486-22-7
• Molecular Formula: C₁₂H₁₄
• Molecular Weight: 158.243
• European Community (EC) Number: 662-207-8
• Nikkaji Number: J1.215.641C,J744.023E,J999.849G
• Mol file: 72486-22-7.mol

Synonyms:(4-methyl-1,3-pentadienyl)benzene;2-Methyl-5-phenyl-2,4-pentadiene;AKOS024339877;(1E)-1-Phenyl-4-methyl-1,3-pentadiene;(1Z)-1-Phenyl-4-methyl-1,3-pentadiene;4-METHYL-1-PHENYL-1,3-PENTADIENE

Chemical Property of 4-Methyl-1-phenyl-1,3-pentadiene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 158.109550447
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC=CC1=CC=CC=C1)C
• Isomeric SMILES: CC(=C/C=C/C1=CC=CC=C1)C

Technology Process of 4-Methyl-1-phenyl-1,3-pentadiene

There total 24 articles about 4-Methyl-1-phenyl-1,3-pentadiene 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: 87.0%

4-Methyl-2-(1-methyl-1H-imidazole-2-sulfonyl)-1-phenyl-pent-3-en-1-ol (132431-02-8) → 4-Methyl-1-phenylpenta-1,3-diene (72486-22-7)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 0.25h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97252-6

Reference yield: 86.0%

3,3-dimethyl acrylaldehyde (107-86-8) + benzyltriphenylphosphonium bromide (1449-46-3) → 4-Methyl-1-phenylpenta-1,3-diene (72486-22-7)

Guidance literature:

benzyltriphenylphosphonium bromide; With lithium hydroxide; In isopropyl alcohol; for 0.25h;

3,3-dimethyl acrylaldehyde; In isopropyl alcohol; at 25 ℃; for 5h; Further stages.;

DOI:10.1016/j.tet.2008.02.091

Reference yield: 72.0%

acetone (67-64-1) + Cinnamylphosphonsaeurediisopropylester → 4-Methyl-1-phenylpenta-1,3-diene (72486-22-7)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In benzene; for 20h; Heating;

upstream raw materials:

2-Methylpropionic anhydride

3-phenyl-propenal

styrene

isobutyraldehyde

Downstream raw materials:

3,3-dimethyl-6-phenyl-1,2-dioxa-4-cyclohexene

(E)-4-hydroxy-4-methyl-1-phenyl-2-penten-1-one