Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-

Base Information

• Chemical Name: Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-
• CAS No.: 121149-70-0
• Molecular Formula: C18H20O
• Molecular Weight: 252.356
• DSSTox Substance ID: DTXSID20373824
• Nikkaji Number: J3.058.182B
• Wikidata: Q82162172
• Mol file: 121149-70-0.mol

Synonyms:121149-70-0;Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-;4-tert-Butyldeoxybenzoin;SCHEMBL10445018;DTXSID20373824;1-(4-(tert-Butyl)phenyl)-2-phenylethanone

Chemical Property of Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2

Technology Process of Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-

There total 18 articles about Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-phenyl- 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: 96.0%

4-tert.-Butyl-N,N-diisopropylbenzamid (65861-71-4) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-[4-(1,1-dimethylethyl)phenyl]-2-phenylethanone (121149-70-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 60 ℃; for 12h;

DOI:10.1007/s11426-021-1035-5

Reference yield: 82.0%

toluene (108-88-3,15644-74-3,16713-13-6) + N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide (208188-23-2) → 1-[4-(1,1-dimethylethyl)phenyl]-2-phenylethanone (121149-70-0)

Guidance literature:

toluene; With cesium fluoride; lithium hexamethyldisilazane; at 110 ℃; for 4h; Inert atmosphere; Sealed tube;

N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide; at 50 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.1c02446

Reference yield: 80.0%

methyl 4-tert-butylbenzoate (26537-19-9) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-[4-(1,1-dimethylethyl)phenyl]-2-phenylethanone (121149-70-0)

Guidance literature:

toluene; With cesium sulfate; lithium hexamethyldisilazane; In 2-methyltetrahydrofuran; at 110 ℃; for 4h; Inert atmosphere; Sealed tube;

methyl 4-tert-butylbenzoate; In 2-methyltetrahydrofuran; at 50 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.1c02446

upstream raw materials:

tert-butylbenzene

phenylacetyl chloride

1-bromo-4-tert-butylbenzene

1-(2-methoxyvinyl)benzene

Downstream raw materials:

phenyl benzyl ketone

4-tert-Butyl-thiobenzoesaeure-S-methylester

(S)-methyl thiobenzoate

1-phenyl-2-decanone

Refernces

• 1、 Hu, Rong,Tao, Yigao,Zhang, Xiaofeng,Su, Weiping. "1,2-Aryl Migration Induced by Amide C?N Bond-Formation: Reaction of Alkyl Aryl Ketones with Primary Amines Towards α,α-Diaryl β,γ-Unsaturated γ-Lactams". supporting information. p. 8425 - 8430. Retrieved 2021/03/16.
• 2、 Zhang, Sheng,Bedi, Deepika,Cheng, Lu,Unruh, Daniel K.,Li, Guigen,Findlater, Michael. "Cobalt(II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes". supporting information. p. 8910 - 8917. Retrieved 2020/12/23.