4753-59-7

Basic information

• Product Name: 4-Bromobutyl acetate
• Synonyms: 4-Bromobutyl acetate, 98+%;1-Bromo-4-acetoxybutane;4-Bromo-1-butyl Acetate;4-bromo-1-butanoacetate;4-ACETOXY-1-BROMOBUTANE;4-BROMOBUTYL ACETATE;4-BROMO-N-BUTYL ACETATE;1-ACETOXY-4-BROMOBUTANE
• CAS NO: 4753-59-7
• Molecular Formula: C₆H₁₁BrO₂
• Molecular Weight: 195.05
• EINECS: 225-277-7
• Product Categories: C6 to C7;Carbonyl Compounds;Esters
• Mol File: 4753-59-7.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 92-93 °C12 mm Hg(lit.)
• Flash Point: 229 °F
• Appearance: /
• Density: 1.348 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.184mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chloroform, Methanol
• Water Solubility: Insoluble
• BRN: 1749695
• CAS DataBase Reference: 4-Bromobutyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromobutyl acetate(4753-59-7)
• EPA Substance Registry System: 4-Bromobutyl acetate(4753-59-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 4753-59-7(Hazardous Substances Data)

Usage

Description

4-Bromobutyl acetate is a clear, colorless to slightly yellow liquid that is utilized in the chemical synthesis of various compounds, including 9-alkylguanine derivatives. It is an important intermediate in the pharmaceutical industry due to its versatile reactivity and ability to be incorporated into a range of molecules.

Uses

Used in Pharmaceutical Industry:
4-Bromobutyl acetate is used as a synthetic intermediate for the production of 9-alkylguanine derivatives, which are significant in the development of potential therapeutic agents. Its chemical properties allow for the creation of various pharmaceutical compounds with different applications in medicine.
Used in Chemical Synthesis:
4-Bromobutyl acetate is used as a reagent in chemical synthesis processes, particularly for the creation of complex organic molecules. Its versatility and stability make it a valuable component in the synthesis of a wide array of chemical products.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 3571, 1975 DOI: 10.1021/jo00912a022

InChI:InChI=1/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

Upstream product

• 4469-25-4 2-methyl-[1,3]dioxepane 
• 35435-68-8 4-acetoxy-1-butanol 
• 33036-62-3 4-Bromo-1-butanol 
• 64-19-7 acetic acid 
• 109-99-9 tetrahydrofuran 
• 506-96-7 Acetyl bromide 
• 57-13-6 urea 
• 108-24-7 acetic anhydride 
• 110-52-1 1,4-dibromo-butane 
• 26976-89-6 5-(4-methoxyphenyl)furan-2(5H)-one 
• 21963-26-8 2-nonen-4-olide 
• 75-36-5 acetyl chloride 
• 42023-34-7 4-bromobutyl phosphite 
• 53209-91-9 4-Perchlorato-butylacetat 

Downstream Products

• 4672-11-1 4-piperidin-1-yl-butan-1-ol 
• 5835-79-0 4-(1-hydroxypropyl)morpholine 
• 114960-98-4 4-hexahydroazepin-1-yl-butan-1-ol 
• 4753-60-0 2-(4-acetoxybutyl)cyclohexanone 
• 60012-67-1 4-hydroxybutyl phenyl sulfone 
• 14970-83-3 4-Mercapto-1-butanol 
• 6191-70-4 [4-(acetyloxy)butyl]triphenylphosphonium bromide 
• 31608-22-7 4-bromo-1-(2-tetrahydropyranyloxy)butane 
• 107698-71-5 ethanoic acid-3-(ethanoic acid-butyr-4-yl ester)-5,6,7,9-tetrahydro-5-(1-oxoethyl)-9-oxo-3H-imidazo<1,2-a>purine-6,7-diyl ester 
• 107698-72-6 ethanoic acid-3-(ethanoic acid-butyr-4-yl ester)-5,6,7,9-tetrahydro-5-(1-oxoethyl)-9-oxo-1H-imidazo<1,2-a>purine-6,7-diyl ester 
• 142668-42-6 Acetic acid 4-[5-(4-methyl-benzyloxymethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-butyl ester 
• 142668-35-7 Acetic acid 4-[3-(4-acetoxy-butyl)-5-(4-methyl-benzyloxymethyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-butyl ester 
• 142668-43-7 Acetic acid 4-[2,4-dioxo-5-(1-phenyl-ethoxymethyl)-3,4-dihydro-2H-pyrimidin-1-yl]-butyl ester 
• 142668-36-8 Acetic acid 4-[3-(4-acetoxy-butyl)-2,6-dioxo-5-(1-phenyl-ethoxymethyl)-3,6-dihydro-2H-pyrimidin-1-yl]-butyl ester 

Relevant articles and documents

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Herein we report the design and synthesis of multifunctional hyperbranched polyester-based nanoparticles and nanocomposites with properties ranging from magnetic, fluorescence, antioxidant and X-ray contrast. The fabrication of these nanostructures was achieved using a novel aliphatic and biodegradable hyperbranched polyester (HBPE) synthesized from readily available diethyl malonate. The polymer's globular structure with functional surface carboxylic groups and hydrophobic cavities residing in the polymer's interior allows for the formation of multifunctional polymeric nanoparticles, which are able to encapsulate a diversity of hydrophobic cargos. Via simple surface chemistry modifications, the surface carboxylic acid groups were modified to yield nanoparticles with a variety of surface functionalizations, such as amino, azide and propargyl groups, which mediated the conjugation of small molecules. This capability achieved the engineering of the HBPE nanoparticle surface for specific cell internalization studies and the formation of nanoparticle assemblies for the creation of novel nanocomposites that retained, and in some cases enhanced, the properties of the parental nanoparticle building blocks. Considering these results, the HBPE polymer, nanoparticles and composites should be ideal for biomedical, pharmaceutical, nanophotonics applications.

Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: A ligand exchange study using phenolic moiety-functionalized ligands

The Hoveyda-Grubbs (HG) second-generation catalyst (HG-II), a Ru complex with a 2-isopropoxybenzylidene ligand, is extensively used for olefin metathesis, the rearrangement of carbon-carbon double bonds. A well-known strategy to control its complex reactivity is to modify the phenyl ring in the ligand, thereby directly influencing the coordination of the phenolic oxygen to the metal center. We, herein, report that a functional group attached to the phenolic moiety in the 2-alkoxybenzylidene ligand can indirectly affect the reactivities of HG-type complexes. In this work, the ligand exchange reactions between HG-II and phenolic moiety-modified 2-alkoxybenzylidene ligands are useful for evaluating the structural effects of the ligands. Specifically, an ethylene amide or an ester group at the terminal phenolic moiety in the benzylidene ligand was found to influence the relative stabilities of HG-type complexes compared to that of the HG-II complex. The structural analyses proved that the observed effects of the functional groups on the complex stabilities originate from the interactions with a chlorido ligand in HG-type complexes without changes in coordination fashions at the metal centers. It was found that the outer-sphere interactions also influence the catalytic activities of HG-type complexes, namely, the properties of HG-type complexes can be controlled by outer-sphere structural factors toward the metal center (i.e., "the second-coordination sphere effect"). In the design of functionalized HG-type complexes, the outer-sphere structural effects need to be considered in addition to the optimization of the metal coordination site.

METHOD FOR PREPARING 4-ISOPROPYLAMINO-1-BUTANOL

The present invention relates to a preparation method of 4-isopropylamino-1-butanol, in which using cheap and readily available tetrahydrofuran and acetic acid solution of hydrogen bromide as starting materials to prepare a novel intermediate of 4-isopropylamino-1-acetoxyl butane and further obtain the target product. The present invention has advantages of convenient process operations, mild reaction conditions, economical and environment-friendly benefits, and suitability for industrial production to obtain the product with high purity and high yield.