2-Methoxy-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-Methoxy-3-phenylpropanoic acid
• CAS No.: 78814-96-7
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• European Community (EC) Number: 832-722-4
• Nikkaji Number: J1.119.306D
• Mol file: 78814-96-7.mol

Synonyms:2-methoxy-3-phenylpropanoic acid;78814-96-7;SCHEMBL2517934;2-methoxy-3-phenylpropanoicacid;BBL033050;STL374138;AKOS017523609;alpha-methoxy-beta-phenylpropanoic acid;VS-11766;EN300-182919;Z1258977185

Chemical Property of 2-Methoxy-3-phenylpropanoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-3-phenylpropanoic acid

There total 8 articles about 2-Methoxy-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: 58.0%

methanol (67-56-1) + N-nitroso-N-acetyl-DL-phenylalanine (4561-35-7) → methyl 2-methoxy-3-phenylpropanoate (25692-18-6) + (RS)-2-methoxy-3-phenylpropanoic acid (78814-96-7)

Guidance literature:

Heating;

DOI:10.1039/c39810000297

Reference yield: 4.0%

N-benzoyl-N-nitroso-DL-phenylalanine (70541-10-5) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 5-phenyl-3-phenylmethyl-1,2,4-oxadiazole (3213-99-8) + (RS)-2-methoxy-3-phenylpropanoic acid (78814-96-7) + N-benzoyl-1-phenyl-2-methoxyethylamine (103979-33-5)

Guidance literature:

With methanol; sodium carbonate; at 0 ℃; for 10h; Irradiation;

Reference yield:

methanol (67-56-1) + N-nitroso-N-acetyl-DL-phenylalanine (4561-35-7) → phenyllactic acid (828-01-3) + acetic acid (64-19-7,77671-22-8) + (RS)-2-methoxy-3-phenylpropanoic acid (78814-96-7)

Guidance literature:

With potassium hydroxide; at 22 ℃; Rate constant; Mechanism; further thermolysis;

DOI:10.1039/c39810000297

upstream raw materials:

methanol

N-nitroso-N-acetyl-DL-phenylalanine

N-benzoyl-N-nitroso-DL-phenylalanine

methyl 2-methoxy-3-phenylpropanoate