3-(4-Ethylphenyl)-2-methylpropanal

Base Information

• Chemical Name: 3-(4-Ethylphenyl)-2-methylpropanal
• CAS No.: 36207-16-6
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• NSC Number: 22271
• DSSTox Substance ID: DTXSID60281631
• Nikkaji Number: J1.334.119B
• Mol file: 36207-16-6.mol

Synonyms:36207-16-6;3-(4-ethylphenyl)-2-methylpropanal;NSC22271;SCHEMBL5872655;DTXSID60281631;NSC-22271;AKOS013990589

Chemical Property of 3-(4-Ethylphenyl)-2-methylpropanal

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Boiling Point: 255.1°C at 760 mmHg
• Flash Point: 113.2°C
• Density: 0.948g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CC(C)C=O

Technology Process of 3-(4-Ethylphenyl)-2-methylpropanal

There total 3 articles about 3-(4-Ethylphenyl)-2-methylpropanal 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:

methallylidene diacetate (10476-95-6) + ethylbenzene (100-41-4,27536-89-6) → 3-(4-ethylphenyl)-2-methylpropanal (36207-16-6) + C12H16O

Guidance literature:

methallylidene diacetate; ethylbenzene; With titanium tetrachloride; at -10 ℃; for 3.5h;

With potassium hydroxide; In methanol; water; at 20 ℃; for 1h; Overall yield = 81 %;

DOI:10.3184/174751915X14408762827272

Reference yield:

2-methylpropenal (78-85-3,25120-30-3) + ethylbenzene (100-41-4,27536-89-6) → 3-(4-ethylphenyl)-2-methylpropanal (36207-16-6)

Guidance literature:

With boron trifluoride diethyl etherate; titanium tetrachloride; at -10 ℃;

Reference yield:

→ 3-(4-ethylphenyl)-2-methylpropanal (36207-16-6)

Guidance literature:

β-Chlorzimtaldehyd B4, H2, Kat.;

upstream raw materials:

2-methylpropenal

ethylbenzene

methallylidene diacetate

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