GRADE & PURITY ≥98%

Synonyms

1H-indole-4-carbaldehyde;Indole-4-carboxaldehyde | Indole-4-carboxaldehyde, 97% | indole-4-carbaldehyde | 1H-indol-4-carbaldehyde | STK292737 | 1H-Indole-4-carbaldehyde # | 4-Indole-carboxaldehyde | SR-01000946761-1 | 4-formylindol | BS-3817 | NSC337264 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-formyl Indole is a synthetic intermediate.Indole-4-carboxaldehyde participates in the synthesis of arcyriacyanin A.Synthesis of 4-indole-4-carboxaldehyde has been reported.Intramolecular Friedel-Crafts (FC) acylation of indole-4-carboxaldehyde has been reported.
Usually used as reactant in Biginelli reaction,preparation of antitumor agents,intramolecular Friedel-Crafts acylation,preparation of inhibitors of cell division in E. Coli,synthesis of Hantzsch pyridine-containing Schiff bases.

Specifications

Synonyms

1H-indole-4-carbaldehyde;Indole-4-carboxaldehyde | Indole-4-carboxaldehyde, 97% | indole-4-carbaldehyde | 1H-indol-4-carbaldehyde | STK292737 | 1H-Indole-4-carbaldehyde # | 4-Indole-carboxaldehyde | SR-01000946761-1 | 4-formylindol | BS-3817 | NSC337264 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189524
• Canonical Smiles: C1=CC(=C2C=CNC2=C1)C=O
• IUPAC Name: 1H-indole-4-carbaldehyde
• InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
• Isomeric SMILES: C1=CC(=C2C=CNC2=C1)C=O
• WGK Germany: 3
• Molecular Weight: 145.16
• Beilstein: 21(5)8,267
• Reaxy-Rn: 114118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aryl-aldehydes Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• Solubility: Soluble in ethanol and acetone. Insoluble in water.
• Sensitivity: Air sensitive
• Melt Point(°C): 139-143°C
• Molecular Weight: 145.160 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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