Ethyl 3-hydroxy-3-phenylpentanoate

Base Information

• Chemical Name: Ethyl 3-hydroxy-3-phenylpentanoate
• CAS No.: 2293-61-0
• Molecular Formula: C13H18 O3
• Molecular Weight: 222.284
• NSC Number: 407769
• DSSTox Substance ID: DTXSID10324825
• Nikkaji Number: J1.868.740B
• Mol file: 2293-61-0.mol

Synonyms:2293-61-0;NSC 407769;ethyl 3-hydroxy-3-phenylpentanoate;NSC407769;DTXSID10324825;AKOS011683340;NSC-407769;3-Hydroxy-3-phenylpentanoic acid ethyl ester;Benzenepropanoic acid, .beta.-ethyl-.beta.-hydroxy-, ethyl ester

Chemical Property of Ethyl 3-hydroxy-3-phenylpentanoate

Chemical Property:

• Vapor Pressure: 2.93E-05mmHg at 25°C
• Boiling Point: 342.3°C at 760 mmHg
• Flash Point: 140.3°C
• Density: 1.075g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-hydroxy-3-phenylpentanoate

There total 5 articles about Ethyl 3-hydroxy-3-phenylpentanoate 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%

ethyl bromoacetate (105-36-2) + 1-phenyl-propan-1-one (93-55-0) → ethyl 3-hydroxy-3-phenylpentanoate (2293-61-0)

Guidance literature:

With iodine; zinc; In 1,4-dioxane; for 0.0833333h; ultrasound irradiation;

DOI:10.1021/jo0261395

Reference yield: 91.0%

1-ethoxy-1-(trimethylsiloxy)ethene (18295-66-4) + 1-phenyl-propan-1-one (93-55-0) → ethyl 3-hydroxy-3-phenylpentanoate (2293-61-0)

Guidance literature:

1-ethoxy-1-(trimethylsiloxy)ethene; 1-phenyl-propan-1-one; With triethoxyfluorosilane; (PPh₃)₃CuF; In tetrahydrofuran; at 20 ℃; for 4h;

With triethylamine tris(hydrogen fluoride); In tetrahydrofuran;

DOI:10.1021/ja034993n

Reference yield: 83.0%

chloroacetic acid ethyl ester (105-39-5) + 1-phenyl-propan-1-one (93-55-0) → ethyl 3-hydroxy-3-phenylpentanoate (2293-61-0)

Guidance literature:

With iodine; zinc; In diethyl ether; benzene; Heating;

upstream raw materials:

ethyl bromoacetate

1-phenyl-propan-1-one

1-ethoxy-1-(trimethylsiloxy)ethene

chloroacetic acid ethyl ester

Downstream raw materials:

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

2-Methyl-4-phenyl-hexane-2,4-diol

3-Ethyl-5-phenyl-heptane-3,5-diol

3-hydroxy-3-phenylpentanoic acid