2-Acetoxy-4-phenylbutanoic acid

Base Information

• Chemical Name: 2-Acetoxy-4-phenylbutanoic acid
• CAS No.: 883723-47-5
• Molecular Formula: C12H14O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90563871
• Nikkaji Number: J2.958.619E
• Mol file: 883723-47-5.mol

Synonyms:883723-47-5;2-Acetoxy-4-phenylbutanoic acid;SCHEMBL7344014;DTXSID90563871;2-(Acetyloxy)-4-phenylbutanoic acid

Chemical Property of 2-Acetoxy-4-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 2.23E-06mmHg at 25°C
• Boiling Point: 377.7°C at 760 mmHg
• Flash Point: 144.7°C
• PSA: 63.60000
• Density: 1.189g/cm³
• LogP: 1.63550
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Acetoxy-4-phenylbutanoic acid

There total 9 articles about 2-Acetoxy-4-phenylbutanoic 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: 87.0%

2-hydroxy-4-phenylbutanoic acid (4263-93-8,111611-91-7) + acetic anhydride (108-24-7) → 2-acetoxy-4-phenylbutanoic acid (883723-47-5)

Guidance literature:

With pyridine; at 0 - 5 ℃; for 6h;

DOI:10.1016/j.tet.2006.01.007

Reference yield:

C16H22N2O4 → 2-acetoxy-4-phenylbutanoic acid (883723-47-5)

Guidance literature:

In acetic anhydride; acetic acid; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2010.11.156

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-dimethylphenylsilyl-3-phenylpropyl acetate (1504663-35-7) → 2-acetoxy-4-phenylbutanoic acid (883723-47-5)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 140 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/ol403099f

upstream raw materials:

(S)-(-)-3-acetoxy-5-phenyl-2(5H)-furanone

2-hydroxy-4-phenylbutanoic acid

acetic anhydride

(S,S)-(+)-1-[3-Hydroxy-1-(2,6-di-tert-butyl-4-methoxy-1-phenoxycarbonyl)-3-phenyl-1-propylideneamino]-2-(1-ethyl-1-methoxypropyl)pyrrolidine

Downstream raw materials:

methyl 2-acetoxy-4-phenylbutanoate

(S)-2-acetoxy-4-phenylbutanoic acid

(R)-2-hydroxy4-phenylbutanoic acid

(S)-2-hydroxy-4-phenylbutanoic acid