1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate

Base Information

• Chemical Name: 1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate
• CAS No.: 59247-49-3
• Molecular Formula: C₂₄H₂₄O₃
• Molecular Weight: 360.453
• DSSTox Substance ID: DTXSID101222282
• Nikkaji Number: J1.591.296K

Synonyms:DTXSID101222282;59247-49-3;1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate

Chemical Property of 1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 360.17254462
• Heavy Atom Count: 27
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate

There total 2 articles about 1,1-Dimethylethyl 4-(hydroxydiphenylmethyl)benzoate 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: 97.0%

benzophenone (119-61-9) + tert-butyl 4-iodobenzoate (120363-13-5) → 4-(Hydroxy-diphenyl-methyl)-benzoic acid tert-butyl ester (59247-49-3)

Guidance literature:

tert-butyl 4-iodobenzoate; With mesityllithium; In tetrahydrofuran; at -78 ℃; for 1h;

benzophenone; In tetrahydrofuran; at -78 ℃; for 1h; Further stages.;

DOI:10.1021/ol000253x

Reference yield:

→ 4-(Hydroxy-diphenyl-methyl)-benzoic acid tert-butyl ester (59247-49-3)

Guidance literature:

Verb. 1a, 1) n-BuLi (-> Verb. 2), 2) Benzophenon;

DOI:10.1021/jo00878a009

upstream raw materials:

benzophenone

tert-butyl 4-iodobenzoate

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