41978-69-2

Basic information

• Product Name: DL-Ethyl 2-bromopropionate
• Synonyms: 2-bromopropanoic acid ethyl ester; Ethyl 2-bromopropionate; 2-Bromopropionic Acid Ethylester; 2-Bromopropionic acid ethyl ester; ethyl 2-bromopropanoate; ethyl (2S)-2-bromopropanoate; ethyl (2R)-2-bromopropanoate; Ethyl alpha-bromopropanoate; Propanoicacid,2-bromo-,ethylester; Ethyl bromopropionate; Ethyl-2-bromopropionate
• CAS NO: 41978-69-2
• Molecular Formula: C₅H₉BrO₂
• Molecular Weight: 181.0278
• EINECS: 208-609-5
• Mol File: 41978-69-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 162.6°C at 760 mmHg
• Flash Point: 58.4°C
• Density: 1.413g/cm³
• Vapor Pressure: 2.15mmHg at 25°C
• Refractive Index: 1.453
• Water Solubility: Immiscible
• CAS DataBase Reference: DL-Ethyl 2-bromopropionate(CAS DataBase Reference)
• NIST Chemistry Reference: DL-Ethyl 2-bromopropionate(41978-69-2)
• EPA Substance Registry System: DL-Ethyl 2-bromopropionate(41978-69-2)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: R10:; R20/22:; R36/37/38:
• Safety Statements: S16:; S26:; S37/39:
• Hazardous Substances Data: 41978-69-2(Hazardous Substances Data)

Usage

General Description

DL-Ethyl 2-bromopropionate is a chemical compound with the molecular formula C5H9BrO2. It is an ethyl ester of 2-bromopropionic acid, and is commonly used as a reagent in organic synthesis. DL-Ethyl 2-bromopropionate is a colorless to pale yellow liquid with a fruity odor, and is soluble in organic solvents such as ethanol and diethyl ether. It is primarily used in the pharmaceutical and agrochemical industries as an intermediate for the synthesis of various pharmaceuticals and agrochemicals. DL-Ethyl 2-bromopropionate is also used in the production of fragrances, flavors, and other specialty chemicals. It is important to handle this chemical with care, as it is a potential irritant to the skin, eyes, and respiratory system.

Upstream product

• 21504-43-8 1,1-di-ethoxyprop-1-ene 
• 64-17-5 ethanol 
• 7148-74-5 2-Bromopropionyl chloride 
• 5445-17-0 Methyl 2-bromopropionate 
• 687-47-8 (S)-Ethyl lactate 
• 56-23-5 tetrachloromethane 
• 7726-95-6 bromine 
• 802294-64-0 propionic acid 
• 100-39-0 benzyl bromide 
• 105-37-3 Ethyl propionate 
• 3156-70-5 1-Nitropropen 
• 598-72-1 2-Bromopropionic acid 
• 97-64-3 ethyl 2-hydroxypropionate 
• 563-76-8 α-bromopropionyl bromide 

Downstream Products

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• 110439-97-9 3-hydroxy-2-methyl-3-phenyl-3-pyridin-2-yl-propionic acid ethyl ester 
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• 28578-16-7 3-benzo[1,3]dioxol-5-yl-2-methyl-oxiranecarboxylic acid ethyl ester 
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• 854718-86-8 3-hydroxy-m-menth-1-en-9-oic acid ethyl ester 
• 54677-60-0 diethyl 2,3-dimethyl-2-cyanosuccinate 
• 1572-99-2 ethyl 2-cyanopropionate 
• 31045-09-7 ethyl 2-methyl-1-oxaspiro[2,5]octane-2-carboxylate 
• 108492-51-9 2,3-epoxy-2-methyl-3-p-tolyl-propionic acid ethyl ester 

Relevant articles and documents

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Regio- and Stereoselective Nickel-Catalyzed Coupling of Boronic Acids with Allenoates

The Ni(II)-catalyzed cross-coupling of arylboronic acids with allenoates is documented. The high regio- and stereoselectivity of the process enables a wide range of β-aryl β,γ-unsaturated esters to be prepared in good to excellent yields (up to 95%) and high E / Z -selectivity. Additionally, [3+2]-cascade sequence was observed when 2-formylphenylboronic acid was employed.

Prototypic 18F-Labeled Argininamide-Type Neuropeptide Y Y1R Antagonists as Tracers for PET Imaging of Mammary Carcinoma

The neuropeptide Y (NPY) Y1 receptor (Y1R) selective radioligand (R)-Nα-(2,2-diphenylacetyl)-Nω-[4-(2-[18F]fluoropropanoylamino)butyl]aminocarbonyl-N-(4-hydroxybenzyl)argininamide ([18F]23), derived from the high-affinity Y1R antagonist BIBP3226, was developed for imaging studies of Y1R-positive tumors. Starting from the argininamide core bearing amine-functionalized spacer moieties, a series of fluoropropanoylated and fluorobenzoylated derivatives was synthesized and studied for Y1R affinity. The fluoropropanoylated derivative 23 displayed high affinity (Ki = 1.3 nM) and selectivity toward Y1R. Radiosynthesis was accomplished via 18F-fluoropropanoylation, yielding [18F]23 with excellent stability in mice; however, the biodistribution study revealed pronounced hepatobiliary clearance with high accumulation in the gall bladder (>100 %ID/g). Despite the unfavorable biodistribution, [18F]23 was successfully used for imaging of Y1R positive MCF-7 tumors in nude mice. Therefore, we suggest [18F]23 as a lead for the design of PET ligands with optimized physicochemical properties resulting in more favorable biodistribution and higher Y1R-dependent enrichment in mammary carcinoma.