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1,1-Diphenylbutan-2-one is an organic compound with the chemical formula C18H18O. It is a white crystalline solid that is soluble in organic solvents. This ketone is characterized by the presence of two phenyl groups (C6H5) attached to a butanone (C4H8O) backbone, with the carbonyl group (C=O) located at the second carbon atom. It is synthesized through various methods, such as the Friedel-Crafts acylation of benzene with 2-phenylpropanoyl chloride. 1,1-Diphenylbutan-2-one is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds due to its unique structure and reactivity.

6336-52-3

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6336-52-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6336-52-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,3 and 6 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6336-52:
(6*6)+(5*3)+(4*3)+(3*6)+(2*5)+(1*2)=93
93 % 10 = 3
So 6336-52-3 is a valid CAS Registry Number.
InChI:InChI=1/C16H16O/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3

6336-52-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1-diphenylbutan-2-one

1.2 Other means of identification

Product number -
Other names 1,1-diphenyl-butan-2-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6336-52-3 SDS

6336-52-3Relevant academic research and scientific papers

One-pot method for α-phenylation of ketones using isoxazolidine and triphenylaluminum

Miyoshi, Tetsuya,Sato, Shohei,Tanaka, Hiroya,Hasegawa, Chihiro,Ueda, Masafumi,Miyata, Okiko

experimental part, p. 4188 - 4191 (2012/08/28)

The efficient one-pot umpolung α-phenylation of ketones via N-alkenylisoxazolidine is described. When the various ketones are treated with triphenylaluminum prepared from phenylmagnesium chloride and AlCl3 in the presence of isoxazolidine, the desired products are obtained in good to moderate yield. This method is equivalent to a direct α-arylation reaction of carbonyl groups.

Palladium-catalyzed amination of aromatic C-H bonds with oxime esters

Tan, Yichen,Hartwig, John F.

supporting information; experimental part, p. 3676 - 3677 (2010/05/15)

"Chemical equation presented" We report a conceptually new approach to the direct amination of aromatic C-H bonds. In this process, an oxime ester function reacts with an aromatic C-H bond under redox-neutral conditions to form, in the case studied, an indole product. These reactions occur with relatively low catalyst loading (1 mol %) by a mechanism that appears to involve an unusual initial oxidative addition of an N-O bond to a Pd(0) species. The Pd(II) complex from oxidative addition of the N-X bond has been isolated for the first time, and evidence for the intermediacy of such oxidative addition products in the catalytic reaction has been gained.

Regioselective Arylation Reactions of Biphenyl-2-ols, Naphthols, and Benzylic Compounds with Aryl Halides under Palladium Catalysis

Satoh, Tetsuya,Inoh, Jun-Ichi,Kawamura, Yoshiki,Kawamura, Yuichiro,Miura, Masahiro,Nomura, Masakatsu

, p. 2239 - 2246 (2007/10/03)

Biphenyl-2-ols undergo regioselective mono- and diarylation upon a treatment with aryl iodides in the presence of a palladium catalyst in DMF using Cs2CO3 as a base to produce 1,1′ : 2′,1″-terphenyl-2-ol and 2′,6′-diphenylbiphenyl-2-ol and their derivatives. The reaction of 1-naphthol selectively occurs at its 8-position to give 8-aryl-1-naphthols. In the reaction of 2-naphthol with aryl bromides, diarylated compounds, 1-(2-arylphenyl)-2-naphthols, are formed as the single major products. Under similar conditions, benzyl ketones, phenylacetonitrile, and methyl phenylacetate are arylated at their benzylic position.

Formation and Reactions of 1-Phenyl-2-propanone Dianion and Related Systems with Electrophilic Reagents

Trimitsis, G. B.,Hinkley, J. M.,TenBrink, R.,Faburada, A. L.,Anderson, R.,et al.

, p. 2957 - 2962 (2007/10/02)

1-Phenyl-2-propanone, 1,1-diphenyl-2-propanone, and 1-(4-methoxyphenyl)-2-propanone were converted to their dicarbanions 3, 4, and 31, respectively, and their reactions with a number of electrophilic reagents were examined.All three dianions gave a mixture of C-1 and C-3 alkylation products when treated with alkyl halides of higher reactivity, while only C-1 alkylations occurred when alkyl halides of lower reactivity were used.It was also found that the 1,1-diphenyl-2-propanone and the 1-(4-methoxyphenyl)-2-propanone dianions 4 and 31 gave a higher ratio of C-1/C-3 alkylation products than the 1-phenyl-2-propanone dianion 3.When dianion 3 was reacted with p-anisaldehyde and a number of protonating agents, electrophilic attack occurred exclusively at the C-3 position.The trends observed are analyzed, and mechanisms are proposed to account for the results obtained.

Synthesis of 2,2-Diphenyl-3-oxetanol Derivatives and Their Thermal or Acid-catalyzed Decomposition

Shimizu, Nobujiro,Yamaoka, Shintaro,Tsuno, Yuho

, p. 3853 - 3854 (2007/10/02)

A series of five different 2,2-diphenyl-3-oxetanols was synthesized by photocycloadditiion of benzophenone and enol trimethylsilyl ethers followed by protolysis of the resultant 3-trimethylsiloxyoxetanes.Thermal cleavage and acid-catalyzed rearrangement of these oxetanes are described.

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