2-Acetoxy-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-Acetoxy-3-phenylpropanoic acid
• CAS No.: 69056-25-3
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID60455416
• Nikkaji Number: J1.008.187D
• Mol file: 69056-25-3.mol

Synonyms:2-Acetoxy-3-phenylpropanoic acid;69056-25-3;2-acetyloxy-3-phenylpropanoic acid;(RS)-2-acetyloxy-3-phenyl propanoic acid;SCHEMBL1486323;2-Acetoxy-3-phenylpropanoicacid;2-Acetoxy-3-phenylpropionic acid;DTXSID60455416;VLUWDAHVYCOUSR-UHFFFAOYSA-N;AKOS015962912;DS-7050;2-ACETOXY-3-PHENYL-PROPIONICACID;2-ACETOXY-3-PHENYL-PROPIONIC ACID;3-phenyl-2-methylcarbonyloxypropanoic acid;2-(ACETYLOXY)-3-PHENYLPROPANOIC ACID

Chemical Property of 2-Acetoxy-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 350.351°C at 760 mmHg
• Flash Point: 136.147°C
• PSA: 63.60000
• Density: 1.223g/cm³
• LogP: 1.24540
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2-Acetoxy-3-phenylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(CC1=CC=CC=C1)C(=O)O

Technology Process of 2-Acetoxy-3-phenylpropanoic acid

There total 6 articles about 2-Acetoxy-3-phenylpropanoic 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: 98.0%

phenyllactic acid (828-01-3) + acetyl chloride (75-36-5) → (RS)-2-acetyloxy-3-phenyl propanoic acid (69056-25-3)

Guidance literature:

Reference yield: 80.0%

phenyllactic acid (828-01-3) + acetic anhydride (108-24-7) → (RS)-2-acetyloxy-3-phenyl propanoic acid (69056-25-3)

Guidance literature:

With pyridine; at 0 - 5 ℃; for 6h;

DOI:10.1016/j.tet.2006.01.007

Reference yield: 72.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + sodium acetate (127-09-3) → (RS)-2-acetyloxy-3-phenyl propanoic acid (69056-25-3)

Guidance literature:

With C₈H₁₄N₃O₃PolS; In acetic acid; at 20 ℃; for 11h; Polystyrene

upstream raw materials:

acetyl chloride

phenyllactic acid

acetic anhydride

Phenylalanine

Downstream raw materials:

methyl 2-hydroxy-3-phenylpropanoate

2-acetoxy-3-phenylpropanoyl chloride

α-Acetoxy-β-phenyl-propionsaeure-N,N-diaethylamid

L-3-phenyllactic acid