816-39-7

Usage

Uses

Used in Pharmaceutical Industry:
1,3-Dibromoacetone is used as an antibiotic agent for its ability to inhibit the growth of various microorganisms, making it a valuable component in the development of medications targeting bacterial infections.
Used in Antimicrobial Applications:
1,3-Dibromoacetone is utilized as an antimicrobial agent due to its effectiveness in combating a wide range of bacteria, fungi, and other pathogens. This property makes it suitable for use in various settings, such as in medical facilities, food processing, and water treatment, to maintain a hygienic environment and prevent the spread of infections.

InChI:InChI=1/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3

Upstream product

• 53535-68-5 bromo-3-chloro-propanone 
• 96-21-9 1,3-dibromo-2-hydroxypropane 
• 6305-40-4 1,3-diiodopropan-2-one 
• 67-64-1 acetone 
• 598-31-2 1-bromoacetone 
• 534-07-6 1,3-Dichloroacetone 
• 80395-70-6 1,3-Dibromo-1-trimethylsilanyl-propan-2-one 
• 67-56-1 methanol 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 7732-18-5 water 
• 7647-01-0 hydrogenchloride 
• 867-54-9 1,1-dibromopropan-2-one 
• 10035-10-6 hydrogen bromide 

Downstream Products

• 3475-39-6 1,1,3-tribromoacetone 
• 20599-01-3 2,2-bis(bromomethyl)-1,3-dioxolane 
• 62874-50-4 1,1,1,3-tetrabromo-propan-2-one 
• 19753-68-5 3-Bromo-2-oxopropylidenetriphenylphosphorane 
• 19753-64-1 (3-bromoacetonyl)triphenylphosphonium bromide 
• 35497-19-9 5-oxo-1,1,3,3-tetraphenyl-[1,3]diphosphinanediium; dibromide 
• 40057-80-5 5-oxo-1,1,3,3-tetraphenyl-[1,3]diphosphinanediium; dibromide 
• 98590-53-5 dibromoacetone 2,4-dinitrophenylhydrazone 
• 1001419-35-7 tert-butyl (4-(bromomethyl)thiazol-2-yl)carbamate 
• 28940-11-6 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one 
• 53535-68-5 bromo-3-chloro-propanone 
• 534-07-6 1,3-Dichloroacetone 
• 960235-24-9 ethyl 5-(bromomethyl)thiazole-2-carboxylate 

Relevant academic research and scientific papers

Profiling of thiol-containing compounds by stable isotope labeling double precursor ion scan mass spectrometry

Here we developed a novel strategy of isotope labeling in combination with high-performance liquid chromatography-double precursor ion scan mass spectrometry (IL-LC-DPIS-MS) analysis for nontargeted profiling of thiol-containing compounds. In this strategy, we synthesized a pair of isotope labeling reagents (?-bromoacetonylquinolinium bromide, BQB; ?-bromoacetonylquinolinium-d7 bromide, BQB-d7) that contain a reactive group, an isotopically labeled moiety, and an ionizable group to selectively label thiol-containing compounds. The BQB and BQB-d7 labeled compounds can generate two characteristic product ions m/z 218 and 225, which contain an isotope tag and therefore were used for double precursor ion scans in mass spectrometry analysis. The peak pairs with characteristic mass differences can be readily extracted from the two precursor ion scan (PIS) spectra and assigned as potential thiol-containing candidates, which facilitates the identification of analytes. BQB and BQB-d7 labeled thiol-containing compounds can be clearly distinguished by generating two individual ion chromatograms. Thus, thiol-containing compounds from two samples labeled with different isotope reagents are ionized at the same time but recorded separately by mass spectrometry, offering good identification and accurate quantification by eliminating the MS response fluctuation and mutual interference from the two labeled samples. Using the IL-LC-DPIS-MS strategy, we profiled the thiol-containing compounds in beer and human urine, and 21 and 103 thiol candidates were discovered in beer and human urine, respectively. In addition, 9 and 17 thiol candidates in beer and human urine were successfully identified by further comparison with thiol standards or tandem mass spectrometry analysis. Taken together, the IL-LC-DPIS-MS method is demonstrated to be a promising strategy in the profiling of compounds with identical groups in metabolomics study.

Synthesis of α,β-unsaturated epoxy ketones utilizing a bifunctional sulfonium/phosphonium ylide

Herein, a new protocol for rapid synthesis of α,β-unsaturated epoxy ketones utilizing a bifunctional sulfonium/phosphonium ylide is described. This approach comprises two sequential chemoselective reactions between sulfonium and phosphonium ylides and two distinct aldehydes, which allows for the rapid construction of a variety of unsymmetric α,β-unsaturated epoxy ketones. This methodology allows the rapid construction of the core reactive functionality of a family of lipid peroxidation products, the epoxyketooctadecenoic acids, but can be further broadly utilized as a useful synthon for the synthesis of natural products, particularly those derived from oxidized fatty acids. Accordingly, a protocol utilizing this approach to synthesize the epoxyketooctadecenoic acid family of molecules is described.

Expeditious Syntheses to Pharmochemicals 1,3-Dihydroxyacetone, 1,3-Dichloro-, 1,3-Dibromo- And 1,3-Diiodoacetone from Glycerol 1,3-Dichlorohydrin Using Homogenous and Heterogenous Medium

New efficient and reproductive routes to production of 1,3-dihydroxyacetone (1), 1,3-dichloroacetone (6), 1,3-dibromoacetone (7) and 1,3-diiodoacetone (8) from glycerol 1,3-dichlorohydrin (3) were developed. The synthesis of 1 was processed in three steps from glycerol 2 (1,3-selective chlorination of 2 to 3, oxidation of 3 to 6 and subsequent di-hydroxylation) in 51% overall yield. On the other hand, 7 and 8 were produced from 3, via a trans-bromination and trans-iodination, respectively, followed by oxidation and hydroxylation steps, in 38-52% overall yield. It was used homogeneous media with different reagents (HCl/AcOH, pyridinium chlorochromate (PCC), PCC-HIO4) and heterogeneous media with reagents supported on polymer resins such as Amberlyst A26-HCrO4– form, PV-PCC (polyvinyl-pyridinium chlorochromate) and Amberlyst A26-OH– form or reagents supported on alumina such as KI/Al2O3, KBr/Al2O3, in solvent free conditions.

1,3-bis(R-group ferrocene)-2-propyl alcohol and synthesis method

The invention relates to a synthesis method of 1,3-bis(R-group ferrocene)-2-propyl alcohol (R is C2-C4 alkyl). The synthesis method comprises the following steps: dissolving ferrocene in a solvent; slowly adding a halogenated (or hydroxyl and olefin) compound with the carbon number of 2-4 and a catalyst for reaction; performing washing with water, evaporating the solvent and performing rectification to obtain R-group ferrocene; adding acetone and a solvent in another reactor; slowly adding bromine for reaction for a period of time, and then performing washing with water, evaporating the solvent and performing recrystallization to obtain 1,3-dibromoacetone; carrying out Friedel-Crafts alkylation reaction on the R-group ferrocene and the 1,3-dibromoacetone to obtain 1,3-bis(R-group ferrocene) acetone; adding reducing agents such as sodium borohydride in the 1,3-bis(R-group ferrocene) acetone to obtain the 1,3-bis(R-group ferrocene)-2-propyl alcohol as the product. The synthesized bisferrocene derivative is used in a solid propellant and a burning rate regulator, and cannot migrate easily when reacting with a curing agent.

Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents

The present invention provides a compound of Formula I, and salts thereof, and a pharmaceutical composition comprising a compound of Formula I: wherein R1 is selected from the group consisting of and R2 is an alkyl group having from one to ten carbon atoms, or wherein R2 is selected from the group consisting of R1 is an alkyl group having from one to ten carbon atoms; and R is H, or an alkyl group having from one to ten carbon atoms, and R3 is H, an alkyl group having from one to ten carbon atoms, or a halogen. Preferably the compound of Formula V includes wherein R3 is a halogen, and most preferably wherein the halogen is chlorine. Methods of treating a patient with cancer with these compounds are also provided.

PROCESS FOR PREPARIING 1,3-DIBROMOACETONE, 1-3-DICHLOROACETONE AND EPICHLOROHYDRIN

A process for preparing 1,3-dibromoacetone, 1-3-dichloroacetone and epichlorohydrin which comprises: (a) reacting acetone with 2 moles of bromine to make a mixture of brominated acetone derivatives and byproduct hydrogen bromide; (b) equilibrating the mixture of brominated acetone derivatives and hydrogen bromide to produce 1,3-dibromoacetone as the major product; (c) crystallizing the 1,3-dibromoacetone; and (d) isolating the 1,3-dibromoacetone. The process may further include the steps of (e) reacting the 1,3-dibromoacetone with a chloride source to produce 1,3-dichloroacetone; (f) hydrogenating the isolated 1,3-dichloroacetone to produce 1,3-dichlorohydrin; and (g) cyclizing the 1,3-dichlorohydrin with a base to produce epichlorohydrin.

Gamma-ketoacid dipeptide derivatives as inhibitors of caspase-3

This invention encompasses the novel compounds of Formula I, which are useful in the treatment of caspase-3 mediated diseases. The invention also encompasses certain pharmaceutical compositions comprising compounds of Formula I as well as methods for treatment of caspase-3 mediated diseases.

Clean, high-yield preparation of S,S and R,S amino acid isosteres

The present invention provides compounds and methods that can be used to convert the intermediate halomethyl ketones (HMKs), e.g., chloromethyl ketones, to the corresponding S,S- and R,S-diastereomers. More particularly, the present invention provides: (1) reduction methods; (2) inversion methods; and (3) methods involving the epoxidation of alkenes. Using the various methods of the present invention, the R,S-epoxide and the intermediary compounds can be prepared reliably, in high yields and in high purity.

Gamma-ketoacid dipeptides as inhibitors of caspase-3

This invention encompasses the novel compounds of Formula I, which are useful in the treatment of caspase-3 mediated diseases. The invention also encompasses certain pharmaceutical compositions comprising compounds of Formula I as well as methods for treatment of caspase-3 mediated diseases.

Pyrazinones, compositions containing such compounds and methods of use

Compounds represented by formula I: as well as pharmaceutically acceptable salts, esters, N-oxides and hydrates thereof are disclosed. Pharmaceutical compositions and methods of use are also included. The compounds are active against the caspase-3 enzyme, and thus are useful to treat fin caspase-3 mediated diseases and conditions.