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1,3-BIS-(4-BROMO-PHENYL)-PROPENONE, also known as dibromobenzylideneacetone, is a chemical compound with the molecular formula C15H11Br2O. It is a yellow to brown crystalline solid that is highly flammable and considered harmful if swallowed, inhaled, or if it comes into contact with the skin or eyes. 1,3-BIS-(4-BROMO-PHENYL)-PROPENONE is commonly used as a precursor in the synthesis of various pharmaceutical and agrochemical compounds.

5471-96-5

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5471-96-5 Usage

Uses

Used in Pharmaceutical Industry:
1,3-BIS-(4-BROMO-PHENYL)-PROPENONE is used as a precursor in the synthesis of various pharmaceutical compounds for its ability to be chemically modified and incorporated into the structure of target drugs.
Used in Agrochemical Industry:
1,3-BIS-(4-BROMO-PHENYL)-PROPENONE is used as a precursor in the synthesis of various agrochemical compounds for its potential to be transformed into active ingredients for pesticides or other agricultural products.
Safety Precautions:
When handling and storing 1,3-BIS-(4-BROMO-PHENYL)-PROPENONE, it is essential to take proper safety measures due to its flammable nature and potential to cause harm if not handled correctly. This includes using appropriate personal protective equipment, such as gloves, goggles, and respirators, to minimize the risk of skin and eye irritation or inhalation. Additionally, it should be stored in a well-ventilated area away from heat and open flames to prevent accidental ignition.

Check Digit Verification of cas no

The CAS Registry Mumber 5471-96-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,7 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5471-96:
(6*5)+(5*4)+(4*7)+(3*1)+(2*9)+(1*6)=105
105 % 10 = 5
So 5471-96-5 is a valid CAS Registry Number.
InChI:InChI=1/C15H10Br2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+

5471-96-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4'-Dibromchalcon

1.2 Other means of identification

Product number -
Other names 2-Propen-1-one, 1,3-bis(4-bromophenyl)-

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:5471-96-5 SDS

5471-96-5Relevant academic research and scientific papers

A π-Conjugated, Covalent Phosphinine Framework

Huang, Jieyang,Tarábek, Ján,Kulkarni, Ranjit,Wang, Cui,Dra?ínsky, Martin,Smales, Glen J.,Tian, Yu,Ren, Shijie,Pauw, Brian R.,Resch-Genger, Ute,Bojdys, Michael J.

, p. 12342 - 12348 (2019)

Structural modularity of polymer frameworks is a key advantage of covalent organic polymers, however, only C, N, O, Si, and S have found their way into their building blocks so far. Here, the toolbox available to polymer and materials chemists is expanded

Cyanopyridine based conjugated polymer-synthesis and characterization

Hemavathi,Ahipa,Pillai, Saju,Pai, Ranjith Krishna

, p. 22 - 30 (2015)

Two novel D-A polymers containing pyridine with vinylene spacer, P1 and P2 were synthesised through Heck polymerisation. In both the polymers, pyridine is linked with two donor phenylene at position-4 and -6, and electron withdrawing cyano group at positi

Chemoselective reduction of α,β-unsaturated carbonyl compounds in the presence of CuPd alloy nanoparticles decorated on mesoporous graphitic carbon nitride as highly efficient catalyst

Bayrak, Cetin,Menzek, Abdullah,Sevim, Melike

, (2021/12/09)

Herein, we reported reductions of acid, amide, ester and ketone groups with selectivity (>99%) by the catalytic transfer hydrogenation of with CuPd alloy nanoparticles (NPs) decorated on mesoporous graphitic carbon nitride (Cu50Pd50/mpg-C3N4) catalyst under mild conditions in a water/methanol mixture. CuPd alloy NPs were synthesized by the co-reduction of palladium (II) acetylacetonate and copper(II) acetylacetonate in oleylamine (OAm) solution by the reduction of morpholine-borane solution and then assembled on mpg-C3N4 via liquid phase self‐assembly method. The α, β-unsaturated carbonyl compounds were obtained from the condensation reaction of the benzaldehyde derivatives with acetone derivatives. Cu50Pd50/mpg-C3N4 nanocatalyst was characterized by TEM, XRD, XPS, BET and ICP‐MS. Cu50Pd50/mpg-C3N4 nanocatalyst is highly active catalyst for the reduction of various organic groups and converted to high yield and 99% selectivity. The superior Cu50Pd50/mpg-C3N4 nanocatalyst is highly efficient and reusable catalyst which is reuse after 5 cycle with 98% conversion.

Synthesis and antimicrobial evaluation of arylated 1,3,5-triphenyl pyrazoline derivatives using suzuki-miyaura reactions

Karim, Diana Khaled,Salman, Ghazwan Ali,Al-Mansury, Sadiq,Jinzeel, Nahida Abdulla

, p. 2469 - 2481 (2021/05/11)

The first palladium –catalyzed coupling reactions of 1,3,5-triphenyl pyrazoline are reported. The Suzuki-Miyaura reaction of 3-(4-bromophenyl)-1,5-diphenyl pyrazoline with one equivalent of arylboronic acids afforded 3-(biphenyl)-1,5-diphenyl pyrazoline in 53-78 % yield. While the Suzuki-Miyaura reactions of 3,5-bis(4-bromophenyl)-1-phenyl pyrazoline with two equivalent of arylboronic acids gave 3,5-bis(biphenyl)-1-phenyl pyrazoline in 55-80% yield. The characterization of the synthesized derivatives (5a-h) and (6a-h) were accomplished on the basis of NMR, FT-IR, and mass techniques. The newly pyrazoline derivatives have been investigated for their in vitro antibacterial activity against gram- negative and gram-positive bacteria. The di-coupling compounds (6a-h) exhibited promising antibacterial against all four bacterial strains compared to the mono-coupling compounds (5a-h) which displayed a slight activity. The compound 6d showed a potent activity significantly more active than Trimethoprim (100μg/ml).

Naphthyl-substituted phenylpyrimidines compound and organic electroluminescent devices using the same

-

Paragraph 0078-0080, (2021/01/29)

A naphthyl-substituted phenylpyrimidines compound having a structure represented by formula (I) (wherein Ar, R, m and n are as defined in the description) and an organic electroluminescent device using the same.

Design, synthesis, and SAR study of novel 4,5-dihydropyrazole-Thiazole derivatives with anti-inflammatory activities for the treatment of sepsis

Cao, Peichang,Duan, Yajun,Fang, Mengyuan,Han, Jihong,Li, Qing-Shan,Xu, Huajian,Yang, Xiaoxiao,Zhang, Zhen,Zou, Tingfeng

, (2021/08/17)

Systemic inflammatory response syndrome is a major feature of sepsis which is one of the major causes of death worldwide. It has been reported that 3,5-diaryl-4,5-dihydropyrazole and thiazole derivatives have many biological functions, especially in the aspect of anti-inflammation. According to the strategy of pharmacophore combination, we introduced thiazole moiety into dihydropyrazole skeleton to design and synthesize a novel series of 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole derivatives, and evaluated their anti-inflammatory activities for sepsis treatment. Preliminary structure?activity relationship (SAR) analysis was conducted by their inhibitory activities against nitric oxide (NO) release in LPS-induced RAW264.7 cells, and the optimal compound E26 exhibited more potent anti-inflammatory activity than the positive control treatment indomethacin and dexamethasone. In further mechanism study, our results showed that compound E26 significantly suppressed the production of interleukin-1β (IL-1β), tumor necrosis factor-α (TNF-α), NO and inhibited the expressions of inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2) through blocking MAPKs signaling pathway. In addition, in vivo administration of compound E26 resulted in a significant improvement of LPS-induced sepsis in C57BL/6J mice, with reducing toxicity in multiple organs. Taken together, this study demonstrated the compound E26 could be a promising agent for the treatment of sepsis.

Bu4NHSO4-Catalyzed Direct N-Allylation of Pyrazole and its Derivatives with Allylic Alcohols in Water: A Metal-Free, Recyclable and Sustainable System

Zhuang, Hongfeng,Lu, Nan,Ji, Na,Han, Feng,Miao, Chengxia

supporting information, p. 5461 - 5472 (2021/09/29)

Allylic amines are valuable and functional building blocks. Direct N-allylation of pyrazole and its derivatives as an atom economic strategy to provide allylic amines has been achieved only using commercial Bu4NHSO4 as the metal-free catalyst and water as the solvent without any additives. 11–93% isolated yields were obtained for the N-allylation of pyrazole and its derivatives with allylic alcohols. Bu4NHSO4 could be reused for six times by simple extraction nearly without loss of catalytic activity and was also suitable for a gram-scale production. The reaction of allylic ether and pyrazole did not occur to give the desired product indicated that allylic ether was not the active intermediate in the pathway. Density functional theory (DFT) calculations reveal that there are hydrogen bonding effects among substrates, solvent and catalyst, especially the one formed between allylic alcohol and H2O. Control experiments in different protic solvents further demonstrate the intermolecular hydrogen bonding of allylic alcohol and water. (Figure presented.).

Catalyst- and acid-free Markovnikov hydration of alkynes in a sustainable H2O/ethyl lactate system

Dandia, Anshu,Saini, Pratibha,Chithra,Vennapusa, Sivaranjana Reddy,Parewa, Vijay

, (2021/03/15)

An efficient and sustainable protocol for the hydration of alkynes has been developed under metal/acid/catalyst/ligand-free conditions in a water/ethyl lactate mixture. The hydrogen-bond network in the ethyl lactate and water mixture plays a crucial and decisive role in activating the alkynes for hydration to afford the corresponding methyl ketones. This strategy gives the Markovnikov (ketone) addition product selectively over other possible products. The essential role of hydrogen bonding has been confirmed by experimental and theoretical techniques. A probable mechanism has been suggested by various control tests. The efficacy of the method has been further explored for the competent production of value-added α,β-unsaturated carbonyl compounds through the reaction of aldehydes with alkynes as ketonic surrogates. The environmentally benign hydration method takes place under mild conditions, has broad functional-group compatibility, and uses the ethyl lactate/water (1:3) medium as a “green alternative” in the absence of any hazardous, harmful, or expensive substances.

9,9-spirobifluorene substituted diphenylpyrimidine compound and organic electroluminescent assembly using same

-

Paragraph 0122-0124, (2020/02/20)

The invention relates to a 9,9-spirobifluorene substituted diphenylpyrimidine compound and an organic electroluminescent assembly using the same. The 9,9-spirobifluorene substituted diphenylpyrimidinecompound is expressed in the following formula (I): (please see the specification for the formula), wherein X, A and n are as defined in the specification.

BENZIMIDAZOLE-SUBSTITUTED DIPHENYLPYRIMIDINE COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME

-

Paragraph 0042, (2020/01/23)

The present invention provides benzimidazole-substituted diphenylpyrimidine compounds of formula (I) and an organic electroluminescent device using the same: 式(I) wherein X 1, Ar and n are as defined in the description.

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