Bis(4-tert-butylphenyl)methanone

Base Information

• Chemical Name: Bis(4-tert-butylphenyl)methanone
• CAS No.: 15796-82-4
• Molecular Formula: C21H26O
• Molecular Weight: 294.437
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID90374146
• Nikkaji Number: J443.520F
• Wikidata: Q82162643
• Mol file: 15796-82-4.mol

Synonyms:15796-82-4;bis(4-tert-butylphenyl)methanone;bis-(4-tert-butyl-phenyl)-methanone;4,4'-Di-tert-butylbenzophenone;Bis(4-(tert-butyl)phenyl)methanone;4,4'-di-t-butylbenzophenone;Bis-(4-tert-butylphenyl)methanone;Methanone, bis[4-(1,1-dimethylethyl)phenyl]-;Bis[4-(tert-butyl)phenyl]methanone;4,4-Di-tert-butylbenzophenone;4,4'-di-t-butylben-zophenone;SCHEMBL1148445;4,4'-di-tert-butyl-benzophenone;4,4'-di-tert.-butylbenzophenone;DTXSID90374146;YNPFOBWIQVHZMO-UHFFFAOYSA-N;4,4'-di-tert-butyl -benzophenone;BCP20150;MFCD01319937;AKOS015910690;AC-9178;AS-36829;A3475;CS-0154905;D5308;FT-0637279;3-(2-METHYL-1,3-THIAZOL-4-YL)BENZOICACID

Chemical Property of Bis(4-tert-butylphenyl)methanone

Chemical Property:

• Appearance/Colour: Off-white crystalline
• Melting Point: 132.0 to 136.0 °C
• Boiling Point: 399.3 °C at 760 mmHg
• Flash Point: 169.3 °C
• PSA: 17.07000
• Density: 0.978 g/cm³
• LogP: 5.51260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 294.198365449
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

98%min ^*data from raw suppliers

4,4''-Di-tert-butylbenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(4-tert-butylphenyl)methanone

There total 38 articles about Bis(4-tert-butylphenyl)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: 90.0%

tert-butylbenzene (253185-03-4,253185-04-5) + carbon monoxide (201230-82-2) + 1-tert-butyl-4-iodobenzene (35779-04-5) → 4,4'-di-tert-butylbenzophenone (15796-82-4)

Guidance literature:

In 1,2-dichloro-ethane; at 60 ℃; for 22h; under 3040.2 Torr; Temperature;

DOI:10.1039/d0sc00085j

Reference yield: 90.0%

tert-butylbenzene (253185-03-4,253185-04-5) + carbon monoxide (201230-82-2) → 4,4'-di-tert-butylbenzophenone (15796-82-4)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); iodine; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 60 ℃; for 22h; under 3040.2 Torr; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1039/d0sc00085j

Reference yield: 90.0%

carbon monoxide (201230-82-2) + potassium (4-tert-butyl)phenyltrifluoroborate → 4,4'-di-tert-butylbenzophenone (15796-82-4)

Guidance literature:

With iodine; palladium diacetate; sodium carbonate; at 80 ℃; for 12h; under 760.051 Torr;

DOI:10.1002/ejoc.201600689

upstream raw materials:

tetrachloromethane

tert-butylbenzene

phosgene

1,1-bis-(4-tert-butyl-phenyl)-2,2-dichloro-ethene

Downstream raw materials:

1-tert-butyl-4-[1-(4-tert-butylphenyl)ethenyl]benzene

1-(2'-pyridyl)-1,1-di((4''-tert-butyl)phenyl)methanol

C₄₈H₇₀O₂Si₂

4-Dimethylamino-1,1-bis-<4-tert-butyl-phenyl>-butanol-(1)

Refernces

• 1、 Xu, Tao,Xu, Wenhao,Zheng, Purui. "Dual Nickel- And Photoredox-Catalyzed Reductive Cross-Coupling of Aryl Halides with Dichloromethane via a Radical Process". supporting information. . Retrieved 2020/11/13.
• 2、 Li, Jia,Bao, Wenhao,Tang, Zhaocheng,Guo, Baodang,Zhang, Shiwei,Liu, Haili,Huang, Shuping,Zhang, Yan,Rao, Yijian. "Cercosporin-bioinspired selective photooxidation reactions under mild conditions". supporting information. p. 6073 - 6081. Retrieved 2019/11/20.