Ethyl 5-fluoroindole-2-carboxylate - ≥98% , CAS No.348-36-7

CAS: 348-36-7 Cat. No.: E124777 Formula: C₁₁H₁₀FNO₂ Peso molecolare: 207.2 Numero EC: 609-032-5

GRADE & PURITY ≥98%

Synonyms

AB01332088-02 | 5-F-ICA-OEt | FT-0626126 | NCGC00341411-01 | STK282100 | AKOS001476058 | EN300-112766 | Ethyl 5-fluoroindole-2-carboxylate, 96% | VIKOQTQMWBKMNA-UHFFFAOYSA-N | 5-Fluoroindole-2-carboxylic acid ethyl ester | Maybridge1_006190 | DTXSID503694

Storage

Room temperature

Shipped In

Normal

Panoramica

Ethyl 5-fluoroindole-2-carboxylate is a reactant for preparation of antitumor agents, antihyperlipidemic agents, Xa inhibitors, potential antiarrhythmic agents, inhibitors of the cytosolic phospholipase A25 and thromboxane receptor antagonist and thromboxane synthase inhibitor via Mitsunobu reaction.
A reactant for preparation of antitumor agents.

Specifications

Sinonimi

AB01332088-02 | 5-F-ICA-OEt | FT-0626126 | NCGC00341411-01 | STK282100 | AKOS001476058 | EN300-112766 | Ethyl 5-fluoroindole-2-carboxylate, 96% | VIKOQTQMWBKMNA-UHFFFAOYSA-N | 5-Fluoroindole-2-carboxylic acid ethyl ester | Maybridge1_006190 | DTXSID503694

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488192344

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192344

Sorrisi canonici

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)F

IUPAC Name

ethyl 5-fluoro-1H-indole-2-carboxylate

InChIKey

VIKOQTQMWBKMNA-UHFFFAOYSA-N

INCHI

1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)F

WGK Germania

3

Peso molecolare

207.2

Reaxy-Rn

170254

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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
• Punto di fusione (°C): 146-150°C
• Peso molecolare: 207.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.07 Da
• Monoisotopic Mass: 207.07 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 247.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 348-36-7, the molecular formula is C11H10FNO2, and the molecular weight is 207.2 g/mol. InChIKey VIKOQTQMWBKMNA-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.