3-Methyl-4,4-diphenylbut-3-enoic acid

Base Information

• Chemical Name: 3-Methyl-4,4-diphenylbut-3-enoic acid
• CAS No.: 80743-50-6
• Molecular Formula: C₁₇H₁₆O₂
• Molecular Weight: 252.313
• NSC Number: 120423
• DSSTox Substance ID: DTXSID90298055

Synonyms:80743-50-6;3-methyl-4,4-diphenylbut-3-enoic acid;NSC120423;DTXSID90298055;NSC-120423

Chemical Property of 3-Methyl-4,4-diphenylbut-3-enoic acid

Chemical Property:

• Vapor Pressure: 5.39E-07mmHg at 25°C
• Boiling Point: 396.4°Cat760mmHg
• Flash Point: 293.2°C
• Density: 1.124g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-4,4-diphenylbut-3-enoic acid

There total 4 articles about 3-Methyl-4,4-diphenylbut-3-enoic acid 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:

2-methyl-1,1-diphenylpropene (781-33-9) → 3-methyl-4,4-diphenyl-but-3-enoic acid (80743-50-6)

Guidance literature:

With diethyl ether; cumyl potassium; Einw_. von Kohlendioxyd auf das Reaktionsprodukt;

Reference yield:

→ 3-methyl-4,4-diphenyl-but-3-enoic acid (80743-50-6)

Guidance literature:

With potassium Sodium; diethyl ether; Einleiten von Kohlendioxid in das Reaktionsgemisch;

Reference yield:

2-methyl-1,1-diphenylpropene (781-33-9) + cumyl potassium (3003-91-6) → 3-benzhydrylidene-glutaric acid + 3-methyl-4,4-diphenyl-but-3-enoic acid (80743-50-6)

Guidance literature:

With diethyl ether; Behandlung des Reaktionsprodukts mit Kohlendioxyd;

upstream raw materials:

2-methyl-1,1-diphenylpropene

diethyl ether

cumyl potassium

methylammonium carbonate

Downstream raw materials:

3-methyl-4,4-diphenyl-butyric acid

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