4-Hydroxyphenyl 4-methoxybenzoate

Base Information

• Chemical Name: 4-Hydroxyphenyl 4-methoxybenzoate
• CAS No.: 28099-28-7
• Molecular Formula: C14H12 O4
• Molecular Weight: 244.247
• Hs Code.: 2918990090
• European Community (EC) Number: 636-697-9
• DSSTox Substance ID: DTXSID20399105
• Nikkaji Number: J2.110.027G
• Wikidata: Q82201460
• Mol file: 28099-28-7.mol

Synonyms:4-hydroxyphenyl 4-methoxybenzoate;28099-28-7;4-Methoxy-benzoic acid 4-hydroxy-phenyl ester;SCHEMBL9683108;DTXSID20399105;GVPRUTCPBVXLJT-UHFFFAOYSA-N;AKOS024331502;4-Methoxybenzoic acid 4-hydroxyphenyl ester;4-methoxybenzoic acid-4-hydroxyphenyl ester

Chemical Property of 4-Hydroxyphenyl 4-methoxybenzoate

Chemical Property:

• Melting Point: 162-165 °C
• Boiling Point: 427.1±30.0 °C(Predicted)
• PKA: 9.37±0.15(Predicted)
• PSA: 55.76000
• Density: 1.250±0.06 g/cm3(Predicted)
• LogP: 2.62000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

98%Min ^*data from raw suppliers

4-Hydroxyphenyl4-methoxybenzoate 97% ^*data from reagent suppliers

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)O

Technology Process of 4-Hydroxyphenyl 4-methoxybenzoate

There total 11 articles about 4-Hydroxyphenyl 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: 98.0%

4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester (50649-79-1) → 4-hydroxy-4'-[(p-methoxy)benzoyloxy]phenyl (28099-28-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; dichloromethane; under 15001.2 Torr;

DOI:10.1002/hlca.19930760210

Reference yield: 82.0%

4-methoxy-benzaldehyde (123-11-5) + p-benzoquinone (106-51-4) → 4-hydroxy-4'-[(p-methoxy)benzoyloxy]phenyl (28099-28-7)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) acetate monohydrate; In water; dimethyl sulfoxide; at 110 ℃; for 16h; Reagent/catalyst; Solvent; Temperature; Sealed tube;

DOI:10.1021/acs.joc.5b02175

Reference yield: 80.0%

4-methoxy-benzaldehyde (123-11-5) + p-benzoquinone (106-51-4) → 4-hydroxy-4'-[(p-methoxy)benzoyloxy]phenyl (28099-28-7) + 4-hydroxy-3-(4-methoxybenzoyl)phenyl 4-methoxybenzoate

Guidance literature:

With tert.-butylhydroperoxide; copper(II) acetate monohydrate; In water; dimethyl sulfoxide; at 100 - 110 ℃; for 48h; Sealed tube;

DOI:10.1021/acs.joc.5b02175

upstream raw materials:

4-methoxy-benzoyl chloride

hydroquinone

4-Methoxy-benzoic acid 4-benzyloxy-phenyl ester

4-methoxybenzoic acid

Downstream raw materials:

4-(4'-Methoxybenzoxy)phenyl-4-methoxybicyclo<2,2,2>oktan-1-carboxylat

C₄₀H₄₆O₁₁Si₂

C₂₃H₂₀O₇

C₂₄H₂₀O₆