Ethyl 3-bromopropionate - ≥98% , CAS No.539-74-2

CAS: 539-74-2 Cat. No.: E106956 Fórmula: C₅H₉BrO₂ Peso molecular: 181.03 Beilstein Registry Number: 1700933 Número CE: 208-724-0

GRADE & PURITY ≥98%

Synonyms

W-105688 | F11254 | Ethyl beta-bromopropionate | FT-0615242 | UNII-9B28G9S1JV | SCHEMBL212144 | DTXSID9060235 | .beta.-Bromopropionic acid ethyl ester | 3-Bromopropionic acid ethyl ester | 3-bromo-propionic acid ethyl ester | Ethyl 3-bromopropionate, 98%

Storage

Protected from light,Room temperature

Shipped In

Normal

Visão geral

Ethyl 3-bromopropionate was used in the preparation of (3′,4′-dimethoxyphenyl)-5-oxopentanoic acid.

Specifications

Sinónimos

W-105688 | F11254 | Ethyl beta-bromopropionate | FT-0615242 | UNII-9B28G9S1JV | SCHEMBL212144 | DTXSID9060235 | .beta.-Bromopropionic acid ethyl ester | 3-Bromopropionic acid ethyl ester | 3-bromo-propionic acid ethyl ester | Ethyl 3-bromopropionate, 98%

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508808995
• Sorrisos canónicos: CCOC(=O)CCBr
• IUPAC Name: ethyl 3-bromopropanoate
• InChIKey: FQTIYMRSUOADDK-UHFFFAOYSA-N
• INCHI: 1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
• SMILES isoméricas: CCOC(=O)CCBr
• WGK Alemanha: 3
• Peso molecular: 181.03
• Beilstein: 1700933
• Reaxy-Rn: 1700933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Soluble in water, alcohol, chloroform, benzene.
• Sensibilidade: Light sensitive.
• Índice de refração: 1.4569
• Ponto de inflamação (°F): 158 °F
• Ponto de inflamação (°C): 79℃
• Ponto de ebulição (°C): 135-136°C
• Peso molecular: 181.030 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Xinping Hu, Chuhang Zhou, Leqi Wang, Qi Liu, Yining Ma, Yingwei Tang, Xiaoxiao Wang, Kanghao Chen, Xinyu Wang, Yan Liu.  (2023)  Procedurally Targeted Delivery of Antitumor Drugs Using FAPα-Responsive TPGS Dimer-Based Flower-like Polymeric Micelles.  ACS Applied Bio Materials,      [PMID:37702706] [10.1021/acsabm.3c00543]

2. Chuhang Zhou, Xinping Hu, Qi Liu, Leqi Wang, Yuanhang Zhou, Yao Jin, Yining Ma, Yan Liu.  (2021)  Stromal Barrier-Dismantled Nanodrill-Like and Cancer Cell-Targeted pH-Responsive Polymeric Micelles for Further Enhancing the Anticancer Efficacy of Doxorubicin.  ACS Biomaterials Science & Engineering,      [PMID:34761919] [10.1021/acsbiomaterials.1c01131]

3. Wensi Li, Shengyu Feng.  (2021)  New Functionalized Ionic Liquids Based on POSS for the Detection of Fe3+ Ion.  Polymers,  13  (2): (196).  [PMID:33430471] [10.3390/polym13020196]

4. Chuyu He, Yao Jin, Yunqiang Deng, Yang Zou, Shidi Han, Chuhang Zhou, Yuanhang Zhou, Yan Liu.  (2020)  Efficient Oral Delivery of Poorly Water-Soluble Drugs Using Carnitine/Organic Cation Transporter 2-Mediated Polymeric Micelles.  ACS Biomaterials Science & Engineering,      [PMID:33455346] [10.1021/acsbiomaterials.0c00020]

5. Zijian Chen, Kai Zhou, Wuzu Ha, Peihong Chen, Huijun Fu, Yudong Shen, Yuanming Sun, Zhenlin Xu.  (2019)  Development of a low-cost, simple, fast and quantitative lateral-flow immunochromatographic assay (ICA) strip for melatonin in health foods.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2019.1602112]

6. Zhao Xu, Yin Guohui, Jin Di, Yan Xilong, Li Yang, Chen Ligong.  (2015)  A Sensitive Colorimetric and Ratiometric Chemosensor for Trivalent Metal Cations.  JOURNAL OF FLUORESCENCE,  25  (2): (327-333).  [PMID:25663271] [10.1007/s10895-015-1513-5]

7. Xu Zhao, Ruisong Wei, Ligong Chen, Di Jin, Xilong Yan.  (2014)  Glucosamine modified near-infrared cyanine as a sensitive colorimetric fluorescent chemosensor for aspartic and glutamic acid and its applications.  NEW JOURNAL OF CHEMISTRY,  38  (10): (4791-4798).  [PMID:] [10.1039/C4NJ00266K]

8. Gao Yajie, Zhang Chao, Zhou Yanxia, Li Jinwen, Zhao Lei, Li Yushu, Liu Yan, Li Xinru.  (2015)  Endosomal pH-Responsive Polymer-Based Dual-Ligand-Modified Micellar Nanoparticles for Tumor Targeted Delivery and Facilitated Intracellular Release of Paclitaxel.  PHARMACEUTICAL RESEARCH,  32  (8): (2649-2662).  [PMID:25676595] [10.1007/s11095-015-1650-1]

9. Huanhuan Liu, Xiaolei Fan, Jingyan Huang, ZiXu Wang, Runli Li, Ruoyu Li, Bo Yang, Yan Wang.  (2026)  Biomimetic chondroitin sulfate synergized with polyzwitterion system induced collagen matrix remineralization for dentin hypersensitivity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174496]