3-Furancarbossilato di etile - ≥98%(GC) , CAS No.614-98-2

CAS: 614-98-2 Cat. No.: E156334 Formula: C₇H₈O₃ Peso molecolare: 140.14 Beilstein Registry Number: 18(3/4)4052 Numero EC: 210-403-5

GRADE & PURITY ≥98%(GC)

Synonyms

3-Furancarboxylic acid, ethyl ester | ethylfuran-3-carboxylate | GEO-03433 | SB61197 | SCHEMBL624090 | EINECS 210-403-5 | EN300-171655 | N11964 | AKOS009165562 | ethyl furan-3-carboxylate | AC-25743 | Q27280581 | ETHYL-3-FUROATE | SY050805 | FT-0626029 |

Storage

Room temperature

Shipped In

Normale

Panoramica

Il 3-furoato di etile subisce una reazione di arilazione regioselettiva catalizzata da palladio(0) con bromuri arilici.
L'etile 3-furoato è stato utilizzato come reagente di partenza per la sintesi dell'etile 2,3-bis(trifluorometil)-7-ossabiciclo[2,2,1]epta-2,5-diene-5-carbossilato e della 4-(1-idrossi-1-metil)-furan-2-sulfonamide.

Specifications

Sinonimi

3-Furancarboxylic acid, ethyl ester | ethylfuran-3-carboxylate | GEO-03433 | SB61197 | SCHEMBL624090 | EINECS 210-403-5 | EN300-171655 | N11964 | AKOS009165562 | ethyl furan-3-carboxylate | AC-25743 | Q27280581 | ETHYL-3-FUROATE | SY050805 | FT-0626029 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504754350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754350
• Sorrisi canonici: CCOC(=O)C1=COC=C1
• IUPAC Name: ethyl furan-3-carboxylate
• InChIKey: LOFDXZJSDVCYAS-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
• Isomeri SMILES: CCOC(=O)C1=COC=C1
• WGK Germania: 3
• Peso molecolare: 140.14
• Beilstein: 18(3/4)4052
• Reaxy-Rn: 112585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Furan-3-carboxylic acid esters Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

• Sensibilità: Air Sensitive,Heat Sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 138.2 °F
• Punto di infiammabilità (°C): 59 °C
• Punto di ebollizione (°C): 95 °C/35 mmHg
• Peso molecolare: 140.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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

Riferimenti

1. Zhijiang Guo, Qiong Chen, Taibo Liang, Baoyuan Zhou, Suhua Huang, Xiufeng Cao, Xiuli Wang, Zaisong Ding, Jiangping Tu.  (2023)  Functionalized carbon nano-enabled plant ROS signal engineering for growth / defense balance.  Nano Today,      [PMID:] [10.1016/j.nantod.2023.102045]