Ethyl Stilbene-4-carboxylate - ≥98%(GC) , CAS No.109463-48-1

CAS: 109463-48-1 Cat. No.: E156432 Formula: C₁₇H₁₆O₂ Peso molecolare: 252.31 Beilstein Registry Number: 9(4)2615

GRADE & PURITY ≥98%(GC)

Synonyms

RBQGAPDZGPQIDL-CMDGGOBGSA-N | AKOS005158082 | SCHEMBL8160762 | 4-(Ethoxycarbonyl)stilbene | NSC18743 | NSC-18743 | Ethyl (E)-4-styrylbenzoate | (E)-ethyl 4-styrylbenzoate | ethyl 4-[(E)-2-phenylethenyl]benzoate | ethyl 4-[(1E)-2-phenylethenyl]benzoate | A

Storage

Room temperature

Shipped In

Normal

Panoramica

Ethyl Stilbene-4-carboxylate is used in the synthesis of catalysts for Heck reactions.

Specifications

Sinonimi

RBQGAPDZGPQIDL-CMDGGOBGSA-N | AKOS005158082 | SCHEMBL8160762 | 4-(Ethoxycarbonyl)stilbene | NSC18743 | NSC-18743 | Ethyl (E)-4-styrylbenzoate | (E)-ethyl 4-styrylbenzoate | ethyl 4-[(E)-2-phenylethenyl]benzoate | ethyl 4-[(1E)-2-phenylethenyl]benzoate | A

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488195638

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195638

Sorrisi canonici

CCOC(=O)C1=CC=C(C=C1)C=CC2=CC=CC=C2

IUPAC Name

ethyl 4-[(E)-2-phenylethenyl]benzoate

InChIKey

RBQGAPDZGPQIDL-CMDGGOBGSA-N

INCHI

1S/C17H16O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+

Isomeri SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2

Peso molecolare

252.31

Beilstein

9(4)2615

Reaxy-Rn

2977931

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2977931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzoic acid esters Styrenes Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Benzoate ester - Benzoic acid or derivatives - Styrene - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Toluene
• Punto di fusione (°C): 107.0 - 111.0 °C
• Peso molecolare: 252.310 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 252.115 Da
• Monoisotopic Mass: 252.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 109463-48-1, the molecular formula is C17H16O2, and the molecular weight is 252.31 g/mol. InChIKey RBQGAPDZGPQIDL-CMDGGOBGSA-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.