4-tert-Butylbenzophenone

Base Information

• Chemical Name: 4-tert-Butylbenzophenone
• CAS No.: 22679-54-5
• Molecular Formula: C17H18O
• Molecular Weight: 238.329
• Hs Code.: 2914399090
• European Community (EC) Number: 245-154-1
• DSSTox Substance ID: DTXSID90177210
• Nikkaji Number: J286.270K
• Wikidata: Q83047529
• Mol file: 22679-54-5.mol

Synonyms:4-tert-Butylbenzophenone;22679-54-5;(4-(tert-Butyl)phenyl)(phenyl)methanone;(4-tert-butylphenyl)-phenylmethanone;4-(t-Butyl)benzophenone;4-tert-Butyl-benzophenone;EINECS 245-154-1;Methanone, (4-(1,1-dimethylethyl)phenyl)phenyl-;Methanone, [4-(1,1-dimethylethyl)phenyl]phenyl-;(4-tert-Butylphenyl)(phenyl)methanone;4-tert.-butylbenzophenone;Benzophenone, 4-tert-butyl-;SCHEMBL195282;DTXSID90177210;MFCD00017255;4-tert-Butylbenzophenone, AldrichCPR;(4-tert-butylphenyl)-phenyl-methanone;AKOS006032349;(4-tert-Butyl-phenyl)-phenyl-methanone;(4-tert-Butylphenyl)(phenyl)methanone #;AS-44233;CS-0315027;FT-0619499;Methanone,[4-(1,1-dimethylethyl)phenyl]phenyl-;A816306

Chemical Property of 4-tert-Butylbenzophenone

Chemical Property:

• Vapor Pressure: 5.3E-05mmHg at 25°C
• Melting Point: 38-40 °C
• Refractive Index: 1.548
• Boiling Point: 347.7 °C at 760 mmHg
• Flash Point: 147.6 °C
• PSA: 17.07000
• Density: 1.017 g/cm³
• LogP: 4.21510
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 238.135765193
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 22-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butylbenzophenone

There total 95 articles about 4-tert-Butylbenzophenone 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: 98.0%

N-methyl-N-(pyrimidin-2-yl)benzamide (1272665-71-0) + p-tert-butylphenylboronic acid (123324-71-0) → 4-tert-butylbenzophenone (22679-54-5)

Guidance literature:

With cinnamyl; potassium carbonate; In tetrahydrofuran; water; at 65 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.7b02288

Reference yield: 96.0%

tert-butyl benzoyl(tert-butoxycarbonyl)carbamate (135364-97-5) + p-tert-butylphenylboronic acid (123324-71-0) → 4-tert-butylbenzophenone (22679-54-5)

Guidance literature:

With boric acid; palladium diacetate; potassium carbonate; triethylamine; tricyclohexylphosphine tetrafluoroborate; In tetrahydrofuran; at 110 ℃; for 15h;

DOI:10.1021/acscatal.6b02323

Reference yield: 96.0%

1-tert-butyl-4-iodobenzene (35779-04-5) + 1-(benzoyl)piperidine-2,6-dione → 4-tert-butylbenzophenone (22679-54-5)

Guidance literature:

With nickel(II) iodide; 2,2':6,2''-terpyridine; potassium fluoride; zinc; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00831

upstream raw materials:

2-( 4'-tert-butylbenzoyl)benzoic acid

4-tert-butyl-benzophenone-imine

tert-butylbenzene

benzoyl chloride

Downstream raw materials:

4,4'-di-tert-butylbenzophenone

1-(4-tert-Butyl-phenyl)-2,2-dimethyl-1-phenyl-propan-1-ol

(4-tert-Butyl-phenyl)-[5,6-di-tert-butyl-3'-(4-tert-butyl-benzoyl)-bicyclohexyl-2,2'-dien-2-yl]-methanone

(E)-3-(4-tert-butylphenyl)-N-[3-fluoro-4-(methylsulfonamido)benzyl]-3-phenylacrylamide

Refernces

• 1、 Lai, Samson,Lin, Wen Xuan,Perrin, David M.,Takaesu, Noah. "Suzuki coupling of aroyl-MIDA boronate esters – A preliminary report on scope and limitations". supporting information. . Retrieved 2021/05/31.
• 2、 Zhang, Yilan,Yue, Xiaoguang,Liang, Chenfeng,Zhao, Jianming,Yu, Wenbo,Zhang, Pengfei. "Photo-induced oxidative cleavage of C-C double bonds of olefins in water". supporting information. . Retrieved 2021/08/27.