Benzoic acid, 4-methoxy-, 1,4-phenylene ester

Base Information

• Chemical Name: Benzoic acid, 4-methoxy-, 1,4-phenylene ester
• CAS No.: 1962-76-1
• Molecular Formula: C22H18O6
• Molecular Weight: 378.381
• DSSTox Substance ID: DTXSID501254714
• Nikkaji Number: J764.028E
• Mol file: 1962-76-1.mol

Synonyms:SCHEMBL12633724;DTXSID501254714;AKOS003449093;1962-76-1;Benzoic acid, 4-methoxy-, 1,4-phenylene ester

Chemical Property of Benzoic acid, 4-methoxy-, 1,4-phenylene ester

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 378.11033829
• Heavy Atom Count: 28
• Complexity: 451

Purity/Quality:

95% ^*data from raw 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)OC(=O)C3=CC=C(C=C3)OC

Technology Process of Benzoic acid, 4-methoxy-, 1,4-phenylene ester

There total 4 articles about Benzoic acid, 4-methoxy-, 1,4-phenylene ester 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: 76.0%

carbon monoxide (201230-82-2) + para-iodoanisole (696-62-8) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis-(4-methoxy-benzoyloxy)-benzene (1962-76-1)

Guidance literature:

With sodium hydroxide; palladium diacetate; In N,N-dimethyl-formamide; at 60 ℃; for 8h; under 760 Torr;

Reference yield:

4-methoxy-benzoyl chloride (100-07-2) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis-(4-methoxy-benzoyloxy)-benzene (1962-76-1)

Guidance literature:

With pyridine;

DOI:10.1021/ja00709a026

Reference yield:

4-methoxybenzoic acid (100-09-4) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis-(4-methoxy-benzoyloxy)-benzene (1962-76-1)

Guidance literature:

With PPA;

upstream raw materials:

4-methoxybenzoic acid

hydroquinone

4-methoxy-benzoyl chloride

carbon monoxide

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