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1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is a complex organic compound that belongs to the group of biphenyls and derivatives. These are organic compounds containing toluene that is substituted at two positions by a phenyl group. This particular compound features a dimethylamino group, which consists of an amino group carrying two methyl substituents. The chemical formula is C17H17NO, suggesting it contains seventeen carbon atoms, seventeen hydrogen atoms, and one nitrogen and oxygen atom each. 1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is also characterized by a propenone group, a type of enone that has a single bond between the α and β positions.

138716-22-0

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138716-22-0 Usage

Uses

1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is used as a chemical intermediate for the synthesis of various organic compounds and pharmaceuticals. Its unique structure, which includes a dimethylamino group and a propenone group, allows it to be a versatile building block in the development of new molecules with potential applications in different industries.
Used in Pharmaceutical Industry:
1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is used as a key intermediate in the synthesis of drugs, particularly those targeting specific biological receptors or enzymes. Its structural features enable the creation of molecules with desired pharmacological properties, such as improved binding affinity, selectivity, and bioavailability.
Used in Chemical Research:
1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is used as a research compound in the study of organic chemistry, particularly in the exploration of new reaction pathways and the development of novel synthetic methods. Its unique structure provides opportunities for investigating the reactivity and properties of various functional groups, as well as the influence of structural modifications on the overall chemical behavior.
Used in Material Science:
1-[1,1'-BIPHENYL]-4-YL-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE is used as a component in the development of advanced materials, such as organic semiconductors, sensors, and catalysts. Its electronic properties and structural characteristics can be exploited to design materials with tailored properties for specific applications, including energy conversion, storage, and environmental sensing.

Check Digit Verification of cas no

The CAS Registry Mumber 138716-22-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,7,1 and 6 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 138716-22:
(8*1)+(7*3)+(6*8)+(5*7)+(4*1)+(3*6)+(2*2)+(1*2)=140
140 % 10 = 0
So 138716-22-0 is a valid CAS Registry Number.

138716-22-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[1,1'-Biphenyl]-4-yl-3-(dimethylamino)-2-propen-1-one

1.2 Other means of identification

Product number -
Other names 1-([1,1'-Biphenyl]-4-yl)-3-(diMethylaMino)prop-2-en-1-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:138716-22-0 SDS

138716-22-0Relevant articles and documents

Synthesis and molecular docking studies of novel pyrimidine derivatives as potential antibacterial agents

Bai, Xue-Qian,Li, Chun-Shi,Cui, Ming-Yue,Song, Ze-Wen,Zhou, Xing-Yu,Zhang, Chao,Zhao, Yang,Zhang, Tian-Yi,Jiang, Tie-Yan

, p. 1165 - 1176 (2019/12/11)

Abstract: The present work describes the in vitro antibacterial evaluation of some new pyrimidine derivatives. Twenty-two target compounds were designed, synthesized and preliminarily explored for their antimicrobial activities. The antimicrobial assay revealed that some target compounds exhibited significantly inhibitory efficiencies toward bacteria and fungal including drug-resistant pathogens. Compound 7c presented the most potent inhibitory activities against Gram-positive bacteria (e.g., Staphylococcus aureus 4220), Gram-negative bacteria (e.g., Escherichia coli 1924) and the fungus Candida albicans 7535, with an MIC of 2.4?μmol/L. Compound 7c was also the most potent, with MICs of 2.4 or 4.8?μmol/L against four multidrug-resistant, Gram-positive bacterial strains. The toxicity evaluation of the compounds 7c, 10a, 19d and 26b was assessed in human normal liver cells (L02 cells). Molecular docking simulation and analysis suggested that compound 7c has a good interaction with the active cavities of dihydrofolate reductase (DHFR). In vitro enzyme study implied that compound 7c also displayed DHFR inhibition. Graphic abstract: [Figure not available: see fulltext.]

Synthesis, in vitro, and in vivo (Zebra fish) antitubercular activity of 7,8-dihydroquinolin-5(6H)-ylidenehydrazinecarbothioamides

Kantevari, Srinivas,Krishna, Vagolu Siva,Marvadi, Sandeep kumar,Sridhar, Balasubramanian,Srilakshmi Reshma, Rudraraju,Sriram, Dharmarajan,Surineni, Goverdhan

, (2020/02/04)

We, herein, describe the synthesis of a series of novel aryl tethered 7,8-dihydroquinolin-5(6H)-ylidenehydrazinecarbothioamides 4a–v, which showed in vitro and in vivo antimycobacterial activity against Mycobacterium tuberculosis (Mtb) H37Rv. The intermed

Harnessing Stereospecific Z-Enamides through Silver-Free Cp?Rh(III) Catalysis by Using Isoxazoles as Masked Electrophiles

Debbarma, Suvankar,Bera, Sourav Sekhar,Maji, Modhu Sudan

supporting information, p. 835 - 839 (2019/01/26)

The stereospecific synthesis of Z-enamides is described in this paper. For the first time, isoxazoles have been employed as electrophiles in C-H functionalization to afford thermodynamically less stable Z-enamides utilizing salicylaldehydes in an atom- and step-economic fashion. The stereochemistry of enamides might originate from the relative disposition of atoms present in isoxazole and the intramolecular hydrogen bonding. The reaction showed excellent scope as several structurally and electronically diverse salicylaldehydes and isoxazoles reacted efficiently.

Rh(III)-Catalyzed Enaminone-Directed C-H Coupling with α-Diazo-α-phosphonoacetate for Reactivity Discovery: Fluoride-Mediated Dephosphonation for C-C Coupling Reactions

Song, Chao,Yang, Chen,Zeng, Hua,Zhang, Wenjing,Guo, Shan,Zhu, Jin

supporting information, p. 3819 - 3823 (2018/07/22)

Rh(III)-catalyzed enaminone-directed C-H coupling with α-diazo-α-phosphonoacetate has been used for the identification of fluoride-mediated dephosphonation C-C coupling reactivity for the synthesis of 4-hydroxy-1-naphthoates. Intermolecular C-C coupling of α-phosphonoacetate and benzaldehyde for (E)-selective α,β-unsaturated ester synthesis has also been achieved.

A copper-catalyzed three component reaction of aryl acetylene, sulfonyl azide and enaminone to form iminolactone via 6π electrocyclization

Sun, Jiarui,Cheng, Xiangsheng,Mansaray, John Kamanda,Fei, Weihong,Wan, Jieping,Yao, Weijun

supporting information, p. 13953 - 13956 (2019/01/03)

We developed a copper-catalyzed three component reaction of aryl acetylene, enaminone and sulfonyl azide to construct iminolactone via a cascade process involving copper-catalyzed alkyne-azide cycloaddition (CuAAC), Michael addition of metalated ketenimin

Co(III)-Catalyzed Enaminone-Directed C-H Amidation for Quinolone Synthesis

Shi, Pengfei,Wang, Lili,Chen, Kehao,Wang, Jie,Zhu, Jin

supporting information, p. 2418 - 2421 (2017/05/12)

We report herein the development of a Co(III)-catalyzed enaminone-directed C-H amidation method for synthetic access to quinolones, an important heterocyclic scaffold for diverse pharmaceutically active structures. The C-H coupling with dioxazolones and subsequent deacylation of an installed amide group allow consecutive C-N coupling generation of quinolones with wide-ranging compatible substituent patterns.

Pd-catalyzed site selective C-H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones

Patpi, Santhosh Reddy,Sridhar, Balasubramanian,Tadikamalla, Prabhakar Rao,Kantevari, Srinivas

, p. 10251 - 10261 (2013/09/02)

Described herein is an efficient protocol for the site selective oxidative C-H activation/acetoxylation of a series of 2-aryl/heteroaryl/thiophenyl tethered dihydroquinolinones using palladium acetate as the catalyst and iodobenzene diacetate as an oxidan

3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation

Li, Xiao-Yan,He, Bi-Feng,Luo, Hua-Jun,Huang, Nian-Yu,Deng, Wei-Qiao

supporting information, p. 4617 - 4621 (2013/08/15)

We first report the application of 3-acyl-5-hydroxybenzofurans as a scaffold to develop potential drugs for breast cancer. Seven novel derivative compounds were synthesized by using a microwave-assisted synthesis method. Those compounds exhibited different antiproliferation against human breast cancer MCF-7 cells, with the best activity of IC50 = 43.08 μM for compound 1. A Quantum Mechanics Polarized Ligand Docking (QPLD) study was carried out to investigate the binding interactions between these compounds and estrogen receptor alpha (ERα). The simulation results showed that the trend of receptor-ligand binding interactions was same as that of their antiproliferative activities. A detailed analysis indicated that compound 1 possesses the highest Van der Waals and hydrogen bond interactions compared to the other six compounds and better inhibitors are achievable by enhancing the hydrogen bond interactions. Based on these results, we addressed that 3-acyl-5-hydroxybenzofuran is an attractive scaffold for designing drugs against breast cancer.

Facile synthesis of 6-aryl-3-cyanopyridine-2-(1H)-thiones from aryl ketones

Zheng, Ren-Lin,Zeng, Xiu-Xiu,He, Hai-Yun,He, Jun,Yang, Sheng-Yong,Yu, Luo-Ting,Yang, Li

experimental part, p. 1521 - 1531 (2012/04/17)

An improved synthesis of 6-aryl-3-cyanopyridine-2-(1H)-thiones utilizing enaminones as starting materials catalyzed by 1,4-diazabicyclo[2.2.2]octane (DABCO) was described. Moreover, a convenient one-pot conversion of aryl ketones to 6-aryl-3-cyanopyridine-2-(1H)-thiones was also developed in moderate to good yields (up to 80%). Copyright Taylor & Francis Group, LLC.

Compounds for binding and imaging amyloid plaques and their use

-

Page/Page column 15, (2012/09/25)

The present invention relates to novel compounds (3-aminopropen-1-ones) useful for binding and imaging beta amyloid deposits and their use in detecting or treating Alzheimer's disease and amyloidosis.

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