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2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID, also known as α,β-dimethyl-β-phenylmalonic acid, is a chemical compound with the molecular formula C13H16O3. It is a derivative of malonic acid, featuring a ketone group and a phenyl ring. 2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is widely recognized for its utility in organic synthesis and pharmaceutical research, where it serves as a building block for the creation of more complex molecules. Additionally, it has garnered attention in medicinal chemistry due to its potential biological activities, such as anti-inflammatory and anti-cancer properties.

71821-98-2

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71821-98-2 Usage

Uses

Used in Organic Synthesis:
2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is used as a building block in organic synthesis for the creation of more complex molecules. Its structural features, including the ketone group and phenyl ring, make it a valuable component in the formation of a variety of chemical compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is utilized as a key intermediate in the synthesis of pharmaceuticals. Its role in the development of new drugs is significant, as it can be incorporated into the molecular structures of potential therapeutic agents.
Used in Medicinal Chemistry:
2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is used as a compound of interest in medicinal chemistry due to its potential biological activities. Its anti-inflammatory and anti-cancer properties make it a promising candidate for the development of new treatments in these therapeutic areas.
Used in Anti-inflammatory Applications:
2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is used as an anti-inflammatory agent, potentially helping to reduce inflammation and associated symptoms. Its mechanism of action may involve the modulation of inflammatory pathways, offering a new approach to managing inflammatory conditions.
Used in Anti-cancer Applications:
In the field of oncology, 2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID is explored as an anti-cancer agent. Its potential to target cancer cells and inhibit their growth makes it a candidate for further research and development in cancer therapeutics.

Check Digit Verification of cas no

The CAS Registry Mumber 71821-98-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,8,2 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 71821-98:
(7*7)+(6*1)+(5*8)+(4*2)+(3*1)+(2*9)+(1*8)=132
132 % 10 = 2
So 71821-98-2 is a valid CAS Registry Number.
InChI:InChI=1/C13H16O3/c1-9-4-6-10(7-5-9)11(14)8-13(2,3)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)

71821-98-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-Dimethyl-4-(4-methylphenyl)-4-oxobutanoic acid

1.2 Other means of identification

Product number -
Other names 2,2-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUTYRIC ACID

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 -
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More Details:71821-98-2 SDS

71821-98-2Relevant academic research and scientific papers

Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies

Yuan, Qianjia,Liu, Delong,Zhang, Wanbin

supporting information, p. 1144 - 1147 (2017/03/14)

An efficient asymmetric hydrogenation of β,γ-unsaturated γ-lactams using an iridium-phosphoramidite complex is reported. The chiral γ-lactams were obtained in excellent yields and enantioselectivities (up to 99% yield and 99% ee). The mechanistic studies

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