(3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone

Base Information

• Chemical Name: (3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone
• CAS No.: 24242-58-8
• Molecular Formula: C21H26O2
• Molecular Weight: 310.436
• DSSTox Substance ID: DTXSID20545180
• Nikkaji Number: J1.765.462D
• Mol file: 24242-58-8.mol

Synonyms:24242-58-8;(3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone;DTXSID20545180;OQRMHHGVEWBTHZ-UHFFFAOYSA-N

Chemical Property of (3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 310.193280068
• Heavy Atom Count: 23
• Complexity: 407

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone

There total 18 articles about (3,5-Di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone 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: 92.0%

3,5-ditertbutyl salicylic acid (19715-19-6) + phenyllithium (591-51-5) → (3,5-di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone (24242-58-8)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; dibutyl ether; at 0 - 10 ℃; for 19h; Inert atmosphere;

DOI:10.1002/chem.201500333

Reference yield: 79.0%

bromobenzene (108-86-1,52753-63-6) + (1H-benzo[d][1,2,3]triazol-1-yl)(3,5-di-tert-butyl-2-hydroxyphenyl)methanone (1438105-96-4) → (3,5-di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone (24242-58-8)

Guidance literature:

bromobenzene; With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 6h; Inert atmosphere; Schlenk technique;

(1H-benzo[d][1,2,3]triazol-1-yl)(3,5-di-tert-butyl-2-hydroxyphenyl)methanone; In tetrahydrofuran; at 23 ℃; for 17h; Inert atmosphere; Schlenk technique;

With water; ammonium chloride; In tetrahydrofuran; Cooling with ice; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetasy.2013.03.017

Reference yield: 61.0%

(1H-benzo[d][1,2,3]triazol-1-yl)(3,5-di-tert-butyl-2-hydroxyphenyl)methanone (1438105-96-4) + phenylmagnesium bromide (100-58-3) → (3,5-di-tert-butyl-2-hydroxyphenyl)(phenyl)methanone (24242-58-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 72h; Inert atmosphere;

DOI:10.1016/j.tet.2016.01.034

upstream raw materials:

2,4-Di-tert-butyl-6-(2-methyl-1-phenyl-propenyl)-phenol

benzoic acid-(2,4-di-tert-butyl-phenyl ester)

2,4-di-tert-Butylphenol

Benzotrichlorid

Downstream raw materials:

2,4-di-tert-butyl-6-(1-phenylethenyl)phenol

2,4-Di-tert-butyl-6-(2-methyl-1-phenyl-propenyl)-phenol

5,7-Di-tert-butyl-3-methyl-2-methylene-3-phenyl-2,3-dihydro-benzofuran

5,7-Di-tert-butyl-2,2-dimethyl-3-phenyl-2,3-dihydro-benzofuran-3-ol