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3-Bromopentane-2,4-dione, also known as dibromomalonate or DBM, is a chemical compound with the formula C5H6Br2O2. It is a yellow solid that is soluble in organic solvents and is used in the synthesis and production of various organic compounds.

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  • 3043-28-5 Structure
  • Basic information

    1. Product Name: 3-broMopentane-2,4-dione
    2. Synonyms: 3-broMopentane-2,4-dione
    3. CAS NO:3043-28-5
    4. Molecular Formula: C5H7BrO2
    5. Molecular Weight: 179.01188
    6. EINECS: 200-110-4
    7. Product Categories: N/A
    8. Mol File: 3043-28-5.mol
  • Chemical Properties

    1. Melting Point: 138-140 °C
    2. Boiling Point: 23-24 °C
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.505±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 6.99±0.46(Predicted)
    10. CAS DataBase Reference: 3-broMopentane-2,4-dione(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-broMopentane-2,4-dione(3043-28-5)
    12. EPA Substance Registry System: 3-broMopentane-2,4-dione(3043-28-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3043-28-5(Hazardous Substances Data)

3043-28-5 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromopentane-2,4-dione is used as an intermediate in the preparation of pharmaceuticals for its ability to facilitate the synthesis of various medicinal compounds.
Used in Agrochemical Industry:
3-Bromopentane-2,4-dione is used as an intermediate in the production of agrochemicals, contributing to the development of effective agricultural products.
Used in Polymer Industry:
3-Bromopentane-2,4-dione is used in the manufacturing of polymers, playing a role in the creation of diverse polymeric materials.
Used in Organic Synthesis:
3-Bromopentane-2,4-dione is used as a reagent in organic synthesis, enabling the formation of a wide range of organic compounds.
Used in Adhesives and Coatings Production:
3-Bromopentane-2,4-dione is used as a crosslinking agent in the production of adhesives and coatings, enhancing their performance and durability.
Safety Note:
It is important to handle 3-Bromopentane-2,4-dione with caution and follow safety protocols as it can be hazardous if not handled properly.

Check Digit Verification of cas no

The CAS Registry Mumber 3043-28-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,0,4 and 3 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3043-28:
(6*3)+(5*0)+(4*4)+(3*3)+(2*2)+(1*8)=55
55 % 10 = 5
So 3043-28-5 is a valid CAS Registry Number.

3043-28-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromopentane-2,4-dione

1.2 Other means of identification

Product number -
Other names 2,4-Pentanedione,3-bromo

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:3043-28-5 SDS

3043-28-5Relevant articles and documents

A one pot synthesis of novel bioactive tri- substitute-condensed-imidazopyridines that targets snake venom phospholipase A2

Anilkumar, Nirvanappa C.,Sundaram, Mahalingam S.,Mohan, Chakrabhavi Dhananjaya,Rangappa, Shobith,Bulusu, Krishna C.,Fuchs, Julian E.,Girish, Kesturu S.,Bender, Andreas,Basappa,Rangappa, Kanchugarakoppal S.

, (2015)

Drugs such as necopidem, saripidem, alpidem, zolpidem, and olprinone contain nitrogencontaining bicyclic, condensed-imidazo[1,2-α]pyridines as bioactive scaffolds. In this work, we report a high-yield one pot synthesis of 1-(2-methyl-8-aryl-substitued-imidazo[1,2-α] pyridin-3-yl)ethan-1-onefor the first-time. Subsequently, we performed in silico mode-ofaction analysis and predicted that the synthesized imidazopyridines targets Phospholipase A2 (PLA2). In vitro analysis confirmed the predicted target PLA2 for the novel imidazopyridine derivative1-(2-Methyl-8-naphthalen-1-yl-imidazo [1,2-α]pyridine-3-yl)-ethanone (compound 3f) showing significant inhibitory activity towards snake venom PLA2 with an IC50 value of 14.3 μM. Evidently, the molecular docking analysis suggested that imidazopyridine compound was able to bind to the active site of the PLA2 with strong affinity, whose affinity values are comparable to nimesulide. Furthermore, we estimated the potential for oral bioavailability by Lipinski's Rule of Five. Hence, it is concluded that the compound 3f could be a lead molecule against snake venom PLA2.

Antitubercular 2-Pyrazolylpyrimidinones: Structure-Activity Relationship and Mode-of-Action Studies

Soares De Melo, Candice,Singh, Vinayak,Myrick, Alissa,Simelane, Sandile B.,Taylor, Dale,Brunschwig, Christel,Lawrence, Nina,Schnappinger, Dirk,Engelhart, Curtis A.,Kumar, Anuradha,Parish, Tanya,Su, Qin,Myers, Timothy G.,Boshoff, Helena I. M.,Barry, Clifton E.,Sirgel, Frederick A.,Van Helden, Paul D.,Buchanan, Kirsteen I.,Bayliss, Tracy,Green, Simon R.,Ray, Peter C.,Wyatt, Paul G.,Basarab, Gregory S.,Eyermann, Charles J.,Chibale, Kelly,Ghorpade, Sandeep R.

, p. 719 - 740 (2021/02/03)

Phenotypic screening of a Medicines for Malaria Venture compound library against Mycobacterium tuberculosis (Mtb) identified a cluster of pan-active 2-pyrazolylpyrimidinones. The biology triage of these actives using various tool strains of Mtb suggested a novel mechanism of action. The compounds were bactericidal against replicating Mtb and retained potency against clinical isolates of Mtb. Although selected MmpL3 mutant strains of Mtb showed resistance to these compounds, there was no shift in the minimum inhibitory concentration (MIC) against a mmpL3 hypomorph, suggesting mutations in MmpL3 as a possible resistance mechanism for the compounds but not necessarily as the target. RNA transcriptional profiling and the checkerboard board 2D-MIC assay in the presence of varying concentrations of ferrous salt indicated perturbation of the Fe-homeostasis by the compounds. Structure-activity relationship studies identified potent compounds with good physicochemical properties and in vitro microsomal metabolic stability with moderate selectivity over cytotoxicity against mammalian cell lines.

Synthesis, Characterization, Crystal Structure and Biological Study of Carboxamides Obtained from 2-Aminothiazole Derivatives

Wazalwar, Sachin S.,Banpurkar, Anita R.,Perdih, Franc

, p. 319 - 329 (2019/07/29)

Abstract: Two series of novel thiazolylcarboxamide derivatives were synthesized by the reaction of ethyl 2-amino-4-methylthiazole-5-carboxylate or 1-(2-amino-4-methylthiazol-5-yl)ethan-1-one with four substituted carbonyl chlorides at 0?°C in excellent yi

Lipophilic indole mediated chemoselective α-monobromination of 1,3-dicarbonyl compounds

Wong, Jonathan,Ke, Zhihai,Yeung, Ying-Yeung

, (2020/03/04)

A mild and efficient mono-selective bromination of 1,3-dicarbonyl compounds has been developed using lipophilic indole catalysts. Inexpensive and commercially available N-bromosuccinimide (NBS) was used as the brominating reagent. The selectivity was further enhanced when using stoichiometric amount of 3-bromoindole species. Mechanistic studies reveal that the indole catalyst has dual functions in the mono-bromination process.

Synthesis of various cyclopropyl methyl bromide and its derivatives from ketones and/or aldehydes and some β-dicarbonyl compounds in the presence of BrCN and Et3N

Gholizadeh, Saeed,Safa, Kazem D.,Noroozi Pesyan, Nader

, p. 1239 - 1253 (2019/04/27)

The ultimate goal in this paper has been developed for the synthesis of structurally various bromomethyl cyclopropane via an α-bromoketone and/or aldehydes with ethyl cyanoacetate or malononitrile and cyanogen bromide (BrCN) in the presence of Et3N to give products in excellent yields within about 3?s. All structures were characterized by IR, 1H-NMR, 13C-NMR, and Mass spectroscopy techniques. The reaction mechanism was discussed.

Vanillin and application of isomer thereof to preparation of NA inhibitor

-

Paragraph 0034; 0036-0038, (2018/05/30)

The invention relates to 2-(2-benzyl hydrazono)-5-acyl-thiazole containing hydroxyl and methoxyl as well as pharmaceutically-acceptable salt, a pharmaceutical composition and application of the 2-(2-benzyl hydrazono)-5-acyl-thiazole in preparation of an i

2 - (2 - Animal pen asia jingjing base) -5 - acyl thiazole and its medical use (by machine translation)

-

Paragraph 0046; 0048-0050, (2018/06/28)

The invention formula I shown by 2 - (2 - animal pen asia jingjing base) - 5 - acyl thiazole and its pharmaceutically acceptable salt, pharmaceutical composition and thereof in the preparation of influenza virus neuraminidase inhibitors in the application. Wherein R is selected from: methyl, ethyl, C3 - C4 Straight-chain or C3 - C4 Branched alkyl; R1 Is selected from: hydrogen, C1 - C2 Alkyl, C3 - C4 Straight-chain or C3 - C4 Branched alkyl, fluoromethyl, difluoromethyl, trifluoromethyl, bromomethyl, [...], three bromine methyl, chloromethyl, dichloro methyl or trichloromethyl; X1 , X5 Is selected from: hydrogen, deuterium, C1 - C2 Alkyl, hydroxy, methoxy, ethoxy, fluoro, chloro, bromo, iodo, nitro, amino, methylamino, dimethylamino, acetyl, carboxy, methoxycarbonyl or ethoxycarbonyl; X2 , X4 Is selected from: hydrogen, deuterium, C1 - C2 Alkyl, C3 - C4 Straight or branched chain alkyl, hydroxy, methoxy, ethoxy, fluoro, chloro, bromo, iodo, nitro, amino, methylamino, dimethylamino, acetyl, carboxy, methoxycarbonyl or ethoxycarbonyl; X3 Is selected from: hydrogen, deuterium, C1 - C2 Alkyl, hydroxy, methoxy, ethoxy, fluoro, chloro, bromo, iodo, nitro, amino, methylamino, dimethylamino, acetyl, carboxy, methoxycarbonyl or ethoxycarbonyl. (by machine translation)

(4-alkyl-5-acyl-2-thiazole) hydrazone derivatives and medical application thereof

-

Paragraph 0035; 0036; 0038-0039, (2018/09/28)

The invention relates to (4-alkyl-5-acyl-2-thiazole) hydrazone derivatives shown as a formula I and pharmaceutically acceptable salts thereof, a medicinal composition and the application thereof to preparation of an influenza virus neuraminidase inhibitor

5 - (3 - Phenyl-acryloyl) thiazole derivative and its preparation method and application (by machine translation)

-

Paragraph 0050; 0052-0054, (2018/10/02)

The present invention is shown in formula I 5 - (3 - phenyl-acryloyl) thiazole derivatives and their pharmaceutically acceptable salt, pharmaceutical composition and thereof in the preparation of influenza virus neuraminidase inhibitors in the application. Wherein R is selected from: methyl, ethyl, C3 - C4 Straight-chain or C3 - C4 Branched alkyl; R1 Is selected from: hydrogen, 2 - nitro, 3 - nitro, 4 - nitro, 2 - amino, 3 - amino, 4 - amino, 2 - methylamino, 3 - methylamino, 4 - methylamino, 2 - dimethylamino, 3 - dimethylamino, 4 - dimethylamino, 2 - methoxy, 3 - methoxy, 4 - methoxy, 2 - ethoxy, 3 - ethoxy, 4 - ethoxy, 2 - hydroxy, 3 - hydroxy, 4 - hydroxy, 2, 3 - dihydroxy, 2, 4 - dihydroxy, 2, 5 - dihydroxy, 3, 4 - dihydroxy, 3, 5 - dihydroxy, 2 - hydroxy - 3 - methoxy, 3 - hydroxy - 4 - methoxy, 4 - hydroxy - 3 - methoxy, 4 - hydroxy - 3 - ethoxy, 3, 4, 5 - trimethoxy or 4 - hydroxy - 3, 5 - dimethoxy; R2 Is selected from: hydrogen, C1 - C2 Alkyl, C3 - C4 Straight-chain or C3 - C4 Branched alkyl, trifluoromethyl or chloro C1 - C4 Straight-chain alkyl. (by machine translation)

Nitrogenous condensed heterocyclic compound as well as preparation method, intermediate, composition and application thereof

-

Paragraph 0276; 0277; 0280; 0281, (2018/11/22)

The invention discloses a nitrogenous condensed heterocyclic compound as well as a preparation method, an intermediate, a composition and application thereof. The compound disclosed by the invention has high inhibition activity for different subtypes of CDK (Cyclin-Dependent Kinase) at a molecular level, has good inhibition activity on breast cancer cells at a cell level, has a remarkable proliferation inhibition function on tumor cells related to cyclin-dependent kinase activity at an animal level, is good in liver microsome stability upon human beings, mice, and the like, is good in in-vivoabsorption in mice and rats, is high in bioavailability and is good in druggability.

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