Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester
• CAS No.: 197526-11-7
• Molecular Formula: C21H18O3
• Molecular Weight: 318.372
• DSSTox Substance ID: DTXSID90400338
• Wikidata: Q82203260
• Mol file: 197526-11-7.mol

Synonyms:Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester;methyl 4-[hydroxy(diphenyl)methyl]benzoate;197526-11-7;SCHEMBL13865455;DTXSID90400338;AKOS024338640

Chemical Property of Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 318.125594432
• Heavy Atom Count: 24
• Complexity: 381

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Technology Process of Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester

There total 2 articles about Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl 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: 70.0%

4-(diphenylhydroxymethyl)benzoic acid (19672-49-2) + methyl iodide (74-88-4) → 4-(α-hydroxy-benzhydryl)-benzoic acid methyl ester (197526-11-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2021.153519

Reference yield:

methyl iodide (74-88-4) → 4-(α-hydroxy-benzhydryl)-benzoic acid methyl ester (197526-11-7)

Guidance literature:

Reference yield: 86.0%

4-(α-hydroxy-benzhydryl)-benzoic acid methyl ester (197526-11-7) → methyl 4-benzhydrylbenzoate (34823-78-4)

Guidance literature:

4-(α-hydroxy-benzhydryl)-benzoic acid methyl ester; With sodium tetrahydroborate; In acetonitrile; at 0 ℃; for 0.25h; Inert atmosphere;

With chloro-trimethyl-silane; potassium iodide; In acetonitrile; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153519

upstream raw materials:

methyl iodide

4-(diphenylhydroxymethyl)benzoic acid

Downstream raw materials:

methyl 4-benzhydrylbenzoate