(4-Phenylmethoxyphenyl) 4-methoxybenzoate

Base Information

• Chemical Name: (4-Phenylmethoxyphenyl) 4-methoxybenzoate
• CAS No.: 50649-79-1
• Molecular Formula: C21H18O4
• Molecular Weight: 334.372
• DSSTox Substance ID: DTXSID20355589
• Wikidata: Q82134585
• Mol file: 50649-79-1.mol

Synonyms:(4-phenylmethoxyphenyl) 4-methoxybenzoate;50649-79-1;4-(benzyloxy)phenyl 4-methoxybenzoate;AK-918/40906531;Oprea1_265169;DTXSID20355589;AKOS002935739;4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester

Chemical Property of (4-Phenylmethoxyphenyl) 4-methoxybenzoate

Chemical Property:

• PSA: 44.76000
• LogP: 4.49340
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 334.12050905
• Heavy Atom Count: 25
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Technology Process of (4-Phenylmethoxyphenyl) 4-methoxybenzoate

There total 3 articles about (4-Phenylmethoxyphenyl) 4-methoxybenzoate 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: 83.0%

4-Benzyloxyphenol (103-16-2) + 4-methoxy-benzoyl chloride (100-07-2) → 4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester (50649-79-1)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Heating;

DOI:10.1002/hlca.19930760210

Reference yield:

4-methoxybenzoic acid (100-09-4) → 4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester (50649-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 2 h / Heating

2: 83 percent / NEt₃ / CH₂Cl₂ / 2 h / Heating

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1002/hlca.19930760210

Reference yield:

4-Benzyloxyphenol (103-16-2) + 4-methoxybenzoic acid (100-09-4) → 4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester (50649-79-1)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1039/a706400d

upstream raw materials:

4-Benzyloxyphenol

4-methoxy-benzoyl chloride

4-methoxybenzoic acid

Downstream raw materials:

4-hydroxy-4'-[(p-methoxy)benzoyloxy]phenyl