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

CAS: 22627-70-9 Cat. No.: E344140 分子式: C₂H₅OC₅H₅(=O) 分子量: 126.15 EC番号: 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

概要

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

同義語

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

仕様と純度

≥95%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488186567

カノニカル・スマイル

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

異性体SMILES

CCOC1=CC(=O)CC1

WGKドイツ

3

分子量

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
    • 分類 Vinylogous esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: light sensitive
• 屈折率: 1.492 (lit.)
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 60-63 °C/0.3 mmHg (lit.)
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 22627-70-9, the molecular formula is C2H5OC5H5(=O), and the molecular weight is 126.15 g/mol. InChIKey SUQNVCCJLBQVEI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.