3-Hydroxy-3-methyl-2-phenylpentanoic acid

Base Information

• Chemical Name: 3-Hydroxy-3-methyl-2-phenylpentanoic acid
• CAS No.: 148-19-6
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID30933276
• Nikkaji Number: J2.376.617E
• Mol file: 148-19-6.mol

Synonyms:2-phenyl-3-methyl-3-hydroxypentanoic acid;3-methyl-2-phenyl-3-hydroxypentanoic acid;penfenon;penphenone;penphenone, sodium salt

Chemical Property of 3-Hydroxy-3-methyl-2-phenylpentanoic acid

Chemical Property:

• Vapor Pressure: 2.54E-05mmHg at 25°C
• Boiling Point: 344.3°Cat760mmHg
• Flash Point: 176.2°C
• PSA: 57.53000
• Density: 1.149g/cm³
• LogP: 2.01580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-3-methyl-2-phenylpentanoic acid

There total 4 articles about 3-Hydroxy-3-methyl-2-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:

phenylacetic acid (103-82-2) + butanone (78-93-3) → 3-hydroxy-3-methyl-2-phenyl-valeric acid (148-19-6)

Guidance literature:

phenylacetic acid; With isopropylmagnesium chloride; In tetrahydrofuran; at 40 ℃; for 1h;

butanone; In tetrahydrofuran; at 25 - 40 ℃; for 1h;

DOI:10.1021/acs.orglett.0c00620

Reference yield:

phenylacetic acid (103-82-2) → 3-hydroxy-3-methyl-2-phenyl-valeric acid (148-19-6)

Guidance literature:

With diethyl ether; isopropylmagnesium chloride; benzene; racemat of mp: 88degree Celsius; anschliessendes Behandeln mit Butanon;

DOI:10.1021/ja01127a036

Reference yield:

phenylacetic acid (103-82-2) → 3-hydroxy-3-methyl-2-phenyl-valeric acid (148-19-6)

Guidance literature:

With diethyl ether; isopropylmagnesium chloride; benzene; racemat of mp: 106degree Celsius; anschliessendes Behandeln mit Butanon;

DOI:10.1021/ja01127a036

upstream raw materials:

phenylacetic acid

butanone

Downstream raw materials:

(Z)-3-methyl-2-phenylpent-2-enoic acid

2-cyclohexyl-3-hydroxy-3-methyl-valeric acid

3-methyl-2-phenylpent-2-enoic acid

2-cyclohexyl-3-hydroxy-3-methyl-valeric acid-(2-diethylamino-ethyl ester)

Refernces