4-Tert-butyl-3',4'-dimethoxybenzophenone

Base Information

• Chemical Name: 4-Tert-butyl-3',4'-dimethoxybenzophenone
• CAS No.: 116412-95-4
• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.382
• DSSTox Substance ID: DTXSID40558636
• Wikidata: Q82441007
• Mol file: 116412-95-4.mol

Synonyms:4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE;116412-95-4;(4-tert-butylphenyl)-(3,4-dimethoxyphenyl)methanone;MFCD09801529;SCHEMBL8514183;4-TERT-BUTYL-3',4'-DIMETHOXYBENZOPHENONE,97%;DTXSID40558636;JNELAVICYRMCTE-UHFFFAOYSA-N;3,4-dimethoxy-4'-t-butylbenzophenone;AKOS016018529;(4-tert-Butylphenyl)(3,4-dimethoxyphenyl)methanone;(4-tert-Butyl-phenyl)-(3,4-dimethoxy-phenyl)-methanone;Methanone, (3,4-dimethoxyphenyl)[4-(1,1-dimethylethyl)phenyl]-

Chemical Property of 4-Tert-butyl-3',4'-dimethoxybenzophenone

Chemical Property:

• Vapor Pressure: 2.12E-07mmHg at 25°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.15689456
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butyl-3',4'-dimethoxybenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Tert-butyl-3',4'-dimethoxybenzophenone

There total 3 articles about 4-Tert-butyl-3',4'-dimethoxybenzophenone 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:

1,2-dimethoxybenzene (91-16-7) + p-tert-butyl benzoyl chloride (1710-98-1) → (3,4-dimethoxyl phenyl)(4-tert-Butylphenyl)methanone (116412-95-4)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 2h; Reflux;

DOI:10.1039/c4ob00744a

Reference yield:

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → (3,4-dimethoxyl phenyl)(4-tert-Butylphenyl)methanone (116412-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Reflux

2: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Reflux

With aluminum (III) chloride; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1039/c4ob00744a

Reference yield:

4-(tert-butyl)-N,N-dimethylbenzamide (15235-32-2) + C24H27O6Sm → (3,4-dimethoxyl phenyl)(4-tert-Butylphenyl)methanone (116412-95-4)

Guidance literature:

In tetrahydrofuran; hexane; at -30 - 25 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201814373

upstream raw materials:

1,2-dimethoxybenzene

p-tert-butyl benzoyl chloride

4-(1,1-dimethylethyl)benzoic acid

4-(tert-butyl)-N,N-dimethylbenzamide

Downstream raw materials:

C₁₉H₂₅NO₂

isopropyl((2S)-1-(((3,4-dimethoxylphenyl)(4-(tert-butyl)phenyl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate

C₁₉H₂₃NO₃