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

CAS: 17435-72-2 Cat. No.: E124201 Summenformel: C₆H₉BrO₂ Molekulargewicht: 193.04 Beilstein Registry Number: 970108 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%, stabilized with HQ

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488189425

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189425

Kanonisches Lächeln

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

Isomere SMILES

CCOC(=O)C(=C)CBr

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Alpha,beta-unsaturated carboxylic esters
            • Ebene7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dichloromethane and Methanol
• Empfindlichkeit: light & air & heat sensitive
• Brechungsindex: 1.478
• Flammpunkt (°F): 177.8 °F
• Flammpunkt (°C): 81°C
• Siedepunkt (°C): 86°C/20mmHg
• Molekulargewicht: 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