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1H-Inden-1-one, 2-(4-chlorophenyl)-3-phenyl- is a chemical compound with the molecular formula C19H13ClO and a molecular weight of 286.75 g/mol. It is a derivative of inden-1-one, featuring a 4-chlorophenyl group at the 2-position and a phenyl group at the 3-position. 1H-Inden-1-one, 2-(4-chlorophenyl)-3-phenyl- is characterized by its unique structure, which consists of a fused ring system with a carbonyl group at the 1-position. It is an organic molecule that may have potential applications in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals due to its specific functional groups and structural features. The presence of the chlorine atom provides opportunities for further chemical reactions, such as substitution or addition reactions, which can be exploited in the development of new compounds with desired properties.

3312-36-5

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3312-36-5 Usage

Ketone derivative

The compound belongs to the class of ketones, which are organic compounds with a carbonyl functional group (C=O) bonded to two carbon atoms.

1H-Inden-1-one core structure

The central structure of the compound is based on a 1H-inden-1-one core, which is a five-membered aromatic ring with one carbon atom.

4-chlorophenyl group at the 2-position

A chlorine atom is attached to a phenyl group (a six-membered aromatic ring), which is substituted at the 2-position (the second carbon atom) of the 1H-inden-1-one core.

Phenyl group at the 3-position

A phenyl group is substituted at the 3-position (the third carbon atom) of the 1H-inden-1-one core.

Common use in synthesis

1H-Inden-1-one, 2-(4-chlorophenyl)-3-phenylis frequently used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds.

Potential applications in medicinal chemistry and pharmacology

Due to its structural features and properties, the compound may have potential applications in the fields of medicinal chemistry and pharmacology, such as drug development and targeted therapies.

Need for further research

More research is required to fully understand the potential uses and effects of 1H-Inden-1-one, 2-(4-chlorophenyl)-3-phenylin various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 3312-36-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,3,1 and 2 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3312-36:
(6*3)+(5*3)+(4*1)+(3*2)+(2*3)+(1*6)=55
55 % 10 = 5
So 3312-36-5 is a valid CAS Registry Number.

3312-36-5Downstream Products

3312-36-5Relevant academic research and scientific papers

Synthesis of Indenones Via Palladium-Catalyzed Carbonylation with Mo(CO)6 as a CO Surrogate

Li, Dong-Kun,Zhang, Bo,Ye, Qi,Deng, Wei,Xu, Zheng-Yang

supporting information, p. 441 - 449 (2022/02/23)

Transition-metal-catalyzed carbonylation of alkynes has emerged as a powerful engine for the synthesis of indenone compounds. Herein, we reported the development of an effective Pd-catalyzed ligand-free carbonylation of o-bromoaryl iodides with alkynes to afford indenone compounds. A broad range of functional groups on o-bromoaryl iodides and alkynes were tolerated in this protocol, giving carbonylation products. Furthermore, considering the factors of safety and operability, Mo(CO)6 was introduced into the reaction as a carbonyl source. Mechanistic investigations suggested that the reaction proceeded through sequential oxidative addition, alkyne insertion, carbonyl insertion, and reductive elimination steps to produce the observed carbonylation indenone products. Moreover, the indenones obtained with Mo(CO)6 as a CO surrogate can be functionalized to form synthetic useful derivatives via an environmentally friendly way.

Iodine-Mediated Cyclization of ortho-Alkynylaryl Ketones for the Synthesis of Indenone Derivatives

Chuangsoongnern, Pennapa,Surinrach, Chareef,Tummatorn, Jumreang,Thongsornkleeb, Charnsak,Ruchirawat, Somsak

, p. 5102 - 5109 (2017/09/23)

A new method for the synthesis of indenone derivatives based on the I2-promoted cyclization of ortho-alkynylaryl ketones has been developed. This method provides a metal-free and convenient route for the regioselective synthesis of indenones using ortho-alkynylaryl ketones with predefined substituents to give indenone products in moderate to good yields.

Rhodium-Catalyzed Oxidative Decarboxylation Annulation Reactions of Mandelic Acids and Alkynes: An Efficient Synthetic Method for Indenones

Yu, Xiaobo,Duan, Yulian,Guo, Weijie,Wang, Tao,Xie, Qingxiao,Wu, Shutao,Jiang, Chenggong,Fan, Zixiong,Wang, Jianhui,Liu, Guiyan

, p. 1027 - 1034 (2017/04/21)

Efficient rhodium-catalyzed oxidative decarboxylation annulation reactions between mandelic acids and alkyne derivatives are described. The desired indenone products were obtained in medium to good yields under the optimized reaction conditions, which were a [RhCp*Cl2]2 catalyst (10.0 mol %) in combination with a PCy3 ligand (10.0 mol %) and AgSbF6 (10 mol %) and Cu(OAc)2 (20 mol %) additives. Many functional groups are compatible with the reaction under the optimized reaction conditions. This strategy provides a promising method for the construction of indenones from cheap and commercially available starting materials.

Palladium-catalyzed annulation of alkynes with ortho -halide-containing benzyl alcohols in aqueous medium

Feng, Jie,Lu, Guoping,Lv, Meifang,Cai, Chun

, p. 10561 - 10567 (2015/02/19)

The Pd-catalyzed annulations of ortho-halide-containing benzyl alcohols with alkynes for the synthesis of indenones were achieved in aqueous Triton X-100 micelles with good yields and wide substrate scopes. Moreover, the indenones obtained in this procedure can be further functionalized to form some more synthetic useful derivatives via an environmental-friendly way.

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