3-Hydroxy-3-phenylpentanoic acid

Base Information

• Chemical Name: 3-Hydroxy-3-phenylpentanoic acid
• CAS No.: 13278-26-7
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.2271
• NSC Number: 168216
• DSSTox Substance ID: DTXSID10304920
• Nikkaji Number: J1.402.721A
• Mol file: 13278-26-7.mol

Synonyms:3-Hydroxy-3-phenylpentanoic acid;13278-26-7;3-Hydroxy-3-phenylvaleric acid;NSC168216;SCHEMBL295742;3-Hydroxy-3-phenylpentanoicacid;DTXSID10304920;AABQFWMUVKJALN-UHFFFAOYSA-N;3-Hydroxy-3-phenylpentanoic acid #;AKOS011681908;NSC-168216;CS-0242567;EN300-252020;Z982131910

Chemical Property of 3-Hydroxy-3-phenylpentanoic acid

Chemical Property:

• Vapor Pressure: 1.85E-05mmHg at 25°C
• Boiling Point: 348.7°C at 760 mmHg
• Flash Point: 178.9°C
• Density: 1.178g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Hydroxy-3-phenylpentanoic acid

There total 7 articles about 3-Hydroxy-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: 71.0%

ethyl 3-hydroxy-3-phenylpentanoate (2293-61-0) → 3-hydroxy-3-phenylpentanoic acid (13278-26-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 60 ℃; for 18h;

DOI:10.1002/jps.2600700910

Reference yield:

1-phenyl-propan-1-one (93-55-0) → 3-hydroxy-3-phenylpentanoic acid (13278-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / zinc / diethyl ether; benzene / Heating

2: 71 percent / 1N NaOH / ethanol; H₂O / 18 h / 60 °C

With sodium hydroxide; zinc; In diethyl ether; ethanol; water; benzene;

DOI:10.1002/jps.2600700910

Reference yield:

3-phenylhex-5-en-3-ol (120318-52-7,5729-66-8) → 3-hydroxy-3-phenylpentanoic acid (13278-26-7)

Guidance literature:

With potassium permanganate;

upstream raw materials:

ethyl 3-hydroxy-3-phenylpentanoate

3-phenylhex-5-en-3-ol

1-phenyl-propan-1-one

ethyl iodoacetae

Downstream raw materials:

(E/Z)-3-phenyl-2-pentenoic acid

(E)-3-phenyl-2-pentenoic acid