3-Ethoxy-2-cyclopentenone - ≥95% , CAS No.22627-70-9

CAS: 22627-70-9 Cat. No.: E344140 Molecular Weight: 126.15 EC Number: 245-138-4

GRADE & PURITY ≥95%

Synonyms

3-ethoxy cyclopentenone | 3-ethoxy-2-cyclopenten-1-one | MFCD00042963 | J-014788 | SUQNVCCJLBQVEI-UHFFFAOYSA-N | 3-ethoxy-2-cyclopenten-1-on | 3-Ethoxy-2-cyclopentenone, 98% | 3-Ethoxycyclopent-2-en-1-one | EINECS 245-138-4 | SY036094 | 3-ethoxycyclopente

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

3-Ethoxy-2-cyclopentenone used in the synthesis allylic cyclopentenyl alcohols and 3-methoxymethaoxymethyl-2-cyclopentenol.

Product description：

3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one, 3-Ethoxycyclopentenone) is a cyclic β-alkoxy α,β-unsaturated ketone. Its manganese(III) acetate based tandem oxidation has been investigated. Its various physical properties such as density, refractive index and boiling point have been reported.

Application：

3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one) may be used as a starting material in the synthesis of the following:

allylic cyclopentenyl alcohols like 2-cyclopentenol, 3-methyl-2-cyclopentenol and 3-methoxymethaoxymethyl-2-cyclopentenol

3-aminocyclopent-2-en-1-one

(E)-5-(((2S*,3S*)-3-((benzyloxy)methyl)oxiran-2- yl)methylene)-3-ethoxycyclopent-2-enone, an γ,δ -epoxy-α,β-unsaturated cyclic enone

Specifications

Synonyms

3-ethoxy cyclopentenone | 3-ethoxy-2-cyclopenten-1-one | MFCD00042963 | J-014788 | SUQNVCCJLBQVEI-UHFFFAOYSA-N | 3-ethoxy-2-cyclopenten-1-on | 3-Ethoxy-2-cyclopentenone, 98% | 3-Ethoxycyclopent-2-en-1-one | EINECS 245-138-4 | SY036094 | 3-ethoxycyclopente

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186567
• Canonical Smiles: CCOC1=CC(=O)CC1
• IUPAC Name: 3-ethoxycyclopent-2-en-1-one
• InChIKey: SUQNVCCJLBQVEI-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
• Isomeric SMILES: CCOC1=CC(=O)CC1
• WGK Germany: 3
• Molecular Weight: 126.15
• Reaxy-Rn: 2041482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Vinylogous esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Vinylogous esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous esters
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Vinylogous ester - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as vinylogous esters. These are organic compounds containing an ester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Refractive Index: 1.492 (lit.)
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 60-63 °C/0.3 mmHg (lit.)
• Molecular Weight: 126.150 g/mol
• XLogP3: 0.600
• 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