4-Methyl-3-phenylpentanoic acid

Base Information

• Chemical Name: 4-Methyl-3-phenylpentanoic acid
• CAS No.: 51690-50-7
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• European Community (EC) Number: 886-409-2
• Nikkaji Number: J1.423.772K
• Mol file: 51690-50-7.mol

Synonyms:4-methyl-3-phenylpentanoic acid;51690-50-7;4-methyl-3-phenyl-pentanoic Acid;3-Phenyl-4-methylvaleric acid;4-methyl-3-phenylpentanoicacid;SCHEMBL1234229;QTSNMZCWXXMRTK-UHFFFAOYSA-N;BCA69050;MFCD00796472;AKOS000277728;AKOS016352674;CS-0258021;EN300-68861;Z337709416

Chemical Property of 4-Methyl-3-phenylpentanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.90090
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

4-methyl-3-phenylpentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Methyl-3-phenylpentanoic acid

There total 38 articles about 4-Methyl-3-phenylpentanoic 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: 99.0%

4-methyl-3-phenylpentanoyl chloride (126275-15-8) → 4-methyl-3-phenylpentanoic acid (51690-50-7)

Guidance literature:

4-methyl-3-phenylpentanoyl chloride; With potassium hydroxide; In water; Inert atmosphere; Reflux;

With hydrogenchloride; In water; at 20 ℃; pH=1; Inert atmosphere;

DOI:10.1016/j.tetasy.2010.12.019

Reference yield: 95.0%

(E)-4-methyl-3-phenyl-2-pentenoic acid (77921-03-0) → 4-methyl-3-phenylpentanoic acid (51690-50-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; under 1965.2 Torr;

DOI:10.1016/0040-4039(96)00091-3

Reference yield: 76.0%

(E)-3-phenylacrylic acid (140-10-3) + isopropylmagnesium chloride (1068-55-9) → 4-methyl-3-phenylpentanoic acid (51690-50-7)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 3h;

DOI:10.1021/jacs.0c02079

upstream raw materials:

diethyl 2-(2-methyl-1-phenylpropyl)malonate

4-methyl-pent-2-enoic acid

benzene

(+/-)-ethyl 4-methyl-3-phenylpentanoate

Downstream raw materials:

(R)-ethyl 4-methyl-3-phenylpentanoate

(R)-3-phenyl-4-methylpentanoic acid

(S)-(-)-3-phenyl-4-methylpentanoic acid

(+/-)-ethyl 4-methyl-3-phenylpentanoate