Ethyl 2-(bromomethyl)acrylate - ≥97%, stabilized with HQ , CAS No.17435-72-2

CAS: 17435-72-2 Cat. No.: E124201 Peso molecular: 193.04 Beilstein Registry Number: 970108 Número EC: 628-033-1

GRADE & PURITY ≥97%, stabilized with HQ

Synonyms

AMY39543 | ethyl 2-(bromomethyl)propenoate | EN300-77465 | alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(12)-beta-D-Fruf | ethyl 2-bromomethyl-2-propenoate | ETHYL BROMOMETHACRYLATE | J-010981 | 2-Propenoic acid, 2-(bromomethyl)-, ethyl ester | GS

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Ethyl 2-(bromomethyl)acrylate is an allylic alkylating reagent.
An intermediate in the synthesis of aza inhibitors.It can be employed as an electrophile for various organometallic compounds. The organometallic derivatives of the compound can be used for the synthesis of α-methylene lactones and lactams. It can also be used for the polymerization of functionalized acrylic monomers.

Specifications

Sinónimos

AMY39543 | ethyl 2-(bromomethyl)propenoate | EN300-77465 | alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(12)-beta-D-Fruf | ethyl 2-bromomethyl-2-propenoate | ETHYL BROMOMETHACRYLATE | J-010981 | 2-Propenoic acid, 2-(bromomethyl)-, ethyl ester | GS

Especificaciones y pureza

≥97%, stabilized with HQ

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189425
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189425
• Sonrisas canónicas: CCOC(=O)C(=C)CBr
• IUPAC Name: ethyl 2-(bromomethyl)prop-2-enoate
• InChIKey: MTCMFVTVXAOHNQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
• Isómeros SMILES: CCOC(=O)C(=C)CBr
• WGK Alemania: 3
• Peso molecular: 193.04
• Beilstein: 970108
• Reaxy-Rn: 970108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970108&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate 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
• Descripción: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Dichloromethane and Methanol
• Sensibilidad: light & air & heat sensitive
• Índice de refracción: 1.478
• Punto de inflamación (°F): 177.8 °F
• Punto de inflamación (°C): 81°C
• Punto de ebullición (°C): 86°C/20mmHg
• Peso molecular: 193.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 191.979 Da
• Monoisotopic Mass: 191.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 120.000
• 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

Referencias

1. Nan Hu, Meng Sun, Nan Lv, Yangyang Gao, Xiaohong Fu, Dayi Xing, Xiang Guo, Shaodong Zhai, Ruiping Zhang.  (2024)  ROS-Suppression Nanoplatform Combined Activation of STAT3/Bcl-2 Pathway for Preventing Myocardial Infarction in Mice.  ACS Applied Materials & Interfaces,      [PMID:38288981] [10.1021/acsami.3c16735]