Methyl 1-cyclopentene-1-carboxylate - ≥97% , CAS No.25662-28-6

CAS: 25662-28-6 Cat. No.: M135404 Peso molecular: 126.15 Beilstein Registry Number: 2040162 Número EC: 805-986-3

GRADE & PURITY ≥97%

Synonyms

Cyclopentene-1-carboxylic acid methyl ester | s2783 | Methyl 1-cyclopentenecarboxylate | SW219487-1 | methyl cyclopentene-1-carboxylate;Methyl 1-cyclopentene-1-carboxylate | FT-0675980 | NSC-799351 | AKOS009158575 | STL556569 | 1-Cyclopentene-1-carboxylic

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Description：

Methyl 1-cyclopentene-1-carboxylate, a cyclic alkene, is a cyclopentene derivative. It participates in the synthesis of azulene derivatives by initially forming the corresponding cyclopropanol followed by oxy-Cope rearrangement.

Specifications

Sinónimos

Cyclopentene-1-carboxylic acid methyl ester | s2783 | Methyl 1-cyclopentenecarboxylate | SW219487-1 | methyl cyclopentene-1-carboxylate;Methyl 1-cyclopentene-1-carboxylate | FT-0675980 | NSC-799351 | AKOS009158575 | STL556569 | 1-Cyclopentene-1-carboxylic

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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: 504759217
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759217
• Sonrisas canónicas: COC(=O)C1=CCCC1
• IUPAC Name: methyl cyclopentene-1-carboxylate
• InChIKey: VTYCAXIAUKEGBQ-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
• Isómeros SMILES: COC(=O)C1=CCCC1
• WGK Alemania: 3
• Peso molecular: 126.15
• Beilstein: 2040162
• Reaxy-Rn: 2040162
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040162&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: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Enoate ester - Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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

• Índice de refracción: n20/D 1.4660
• Punto de inflamación (°F): 143.6 °F
• Punto de inflamación (°C): 62 °C
• Punto de ebullición (°C): 76-78 °C
• Peso molecular: 126.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 147.000
• 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