[1,1'-Biphenyl]-4-yl 4-methoxybenzoate

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-yl 4-methoxybenzoate
• CAS No.: 55673-00-2
• Molecular Formula: C20H16O3
• Molecular Weight: 304.33900
• European Community (EC) Number: 645-022-7
• DSSTox Substance ID: DTXSID20358898
• Wikidata: Q82139804
• Mol file: 55673-00-2.mol

Synonyms:(4-phenylphenyl) 4-methoxybenzoate;[1,1'-biphenyl]-4-yl 4-methoxybenzoate;55673-00-2;AO-548/13213507;Oprea1_832108;biphenyl-4-yl 4-methoxybenzoate;SCHEMBL22416335;DTXSID20358898;QXSYNKWEBROFDJ-UHFFFAOYSA-N;STK062469;AKOS002954257;4-Methoxybenzoic acid, 4-biphenyl ester;NCGC00326354-01;4-Methoxy-benzoic acid biphenyl-4-yl ester;AB01321189-02

Chemical Property of [1,1'-Biphenyl]-4-yl 4-methoxybenzoate

Chemical Property:

• PSA: 35.53000
• LogP: 4.58140
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.109944368
• Heavy Atom Count: 23
• Complexity: 359

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)C3=CC=CC=C3

Technology Process of [1,1'-Biphenyl]-4-yl 4-methoxybenzoate

There total 2 articles about [1,1'-Biphenyl]-4-yl 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: 77.0%

1-(4-Methoxybenzoyl)pyrrolidine-2,5-dione (6343-26-6) + 4-biphenylboronic acid (5122-94-1) → [1,1'-biphenyl]-4-yl 4-methoxybenzoate (55673-00-2)

Guidance literature:

With tert.-butylhydroperoxide; dmap; In water; toluene; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1002/ejoc.202100478

Reference yield:

→ [1,1'-biphenyl]-4-yl 4-methoxybenzoate (55673-00-2)

Guidance literature:

4-Hydroxybiphenyl und entsprechende Saeure;

Reference yield:

[1,1'-biphenyl]-4-yl 4-methoxybenzoate (55673-00-2) + acetic anhydride (108-24-7) → C22H18O4

Guidance literature:

With aluminum (III) chloride;

DOI:10.1016/j.ejmech.2017.08.033

upstream raw materials:

1-(4-Methoxybenzoyl)pyrrolidine-2,5-dione

4-biphenylboronic acid

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