3-(3-(Benzyloxy)-4-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(3-(Benzyloxy)-4-methoxyphenyl)propanoic acid
• CAS No.: 36418-96-9
• Molecular Formula: C17H18O4
• Molecular Weight: 286.32200
• European Community (EC) Number: 691-882-1
• Nikkaji Number: J583.799E
• Mol file: 36418-96-9.mol

Synonyms:36418-96-9;3-(3-(benzyloxy)-4-methoxyphenyl)propanoic acid;3-[3-(benzyloxy)-4-methoxyphenyl]propanoic acid;3-(3-Benzyloxy-4-methoxyphenyl)propionic acid;SCHEMBL7822529;AKOS015958500;CCG-311768;3-(4-methoxy-3-phenylmethoxyphenyl)propanoic acid;F9995-0930

Chemical Property of 3-(3-(Benzyloxy)-4-methoxyphenyl)propanoic acid

Chemical Property:

• Melting Point: 121-124℃
• PSA: 55.76000
• LogP: 3.29140
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 286.12050905
• Heavy Atom Count: 21
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

3-(3-(Benzyloxy)-4-methoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(=O)O)OCC2=CC=CC=C2

Technology Process of 3-(3-(Benzyloxy)-4-methoxyphenyl)propanoic acid

There total 5 articles about 3-(3-(Benzyloxy)-4-methoxyphenyl)propanoic 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: 96.0%

<3-(Benzyloxy)-4-methoxyphenyl>propionic acid benzyl ester (159749-96-9) → 3-<3-(Benzyloxy)-4-methoxyphenyl>propionic acid (36418-96-9)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; for 2h; Ambient temperature;

DOI:10.1021/jo00088a009

Reference yield: 91.0%

3-<3-(Benzyloxy)-4-methoxyphenyl>propionic acid 2-iodoethyl ester (156539-05-8) → 3-<3-(Benzyloxy)-4-methoxyphenyl>propionic acid (36418-96-9)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 40 ℃; for 8h;

DOI:10.1021/jo00087a053

Reference yield:

isoferulic acid (537-73-5,1135-16-6,25522-33-2) → 3-<3-(Benzyloxy)-4-methoxyphenyl>propionic acid (36418-96-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / H₂ / Pd/C / ethyl acetate; methanol / 5 h / 2172.02 Torr

2: K₂CO₃ / acetone; acetonitrile / 25 h / Heating

3: 1.02 g / KOH / methanol; H₂O / 10 h / 70 °C

With potassium hydroxide; hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; water; ethyl acetate; acetone; acetonitrile;

DOI:10.1016/S0968-0896(03)00394-8

upstream raw materials:

3-<3-(Benzyloxy)-4-methoxyphenyl>propionic acid 2-iodoethyl ester

<3-(Benzyloxy)-4-methoxyphenyl>propionic acid benzyl ester

isoferulic acid

dihydroisoferulic acid

Downstream raw materials:

3-(3-benzyloxy-4-methoxyphenyl)propionic acid chloride

3-(3-Benzyloxy-4-methoxy-phenyl)-propionyl azide

5-benzyl-3,4-dihydro-6-hydroxy-7-methoxyisocarbostyril

2-Benzyloxy-4-(2-isocyanato-ethyl)-1-methoxy-benzene