3-Methyl-2-(2-phenylethyl)butanoic acid

Base Information

• Chemical Name: 3-Methyl-2-(2-phenylethyl)butanoic acid
• CAS No.: 70777-57-0
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• European Community (EC) Number: 836-366-0
• Mol file: 70777-57-0.mol

Synonyms:3-methyl-2-(2-phenylethyl)butanoic acid;70777-57-0;SCHEMBL584516;AKOS017556314;3-methyl-2-(2-phenylethyl)butanoicacid;CS-0240059;EN300-223696;Z1321944017

Chemical Property of 3-Methyl-2-(2-phenylethyl)butanoic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Methyl-2-(2-phenylethyl)butanoic acid

There total 6 articles about 3-Methyl-2-(2-phenylethyl)butanoic 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-isopropyl-4-phenyl-butyric acid ethyl ester → 3-methyl-2-(2-phenylethyl)butanoic acid (70777-57-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01628a092

Reference yield:

isopropyl-phenethyl-malonic acid (4441-92-3) → 3-methyl-2-(2-phenylethyl)butanoic acid (70777-57-0)

Guidance literature:

at 180 ℃;

DOI:10.1021/ja01279a024

Reference yield:

ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate (6628-68-8) → 3-methyl-2-(2-phenylethyl)butanoic acid (70777-57-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol / Erwaermen des Reaktionsgemisches mit Isopropylbromid

2: aq.-ethanolic KOH-solution

3: 180 °C

With potassium hydroxide; ethanol; sodium ethanolate;

DOI:10.1021/ja01279a024

upstream raw materials:

isopropyl-phenethyl-malonic acid

styrene

3-methylbutyric acid

ethyl 2-(ethoxycarbonyl)-4-phenylbutanoate