1,2,3,4-Tetrahydrocarbazole - ≥99% , CAS No.942-01-8

CAS: 942-01-8 Cat. No.: T161602 Molecular Weight: 171.24 Beilstein Registry Number: 20416 EC Number: 213-385-7 PubChem CID: 13664

GRADE & PURITY ≥99%

Synonyms

1,2,3,4,-TETRAHYDROCARBAZOLE | 1H-Carbazole, 2,3,4,9-tetrahydro- | CARBAZOLE, 5,6,7,8-TETRAHYDRO- | SY033427 | 1H-Carbazole,3,4,9-tetrahydro- | DTXSID00240969 | InChI=1/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H | 2,3-Tetramethyl

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

application：

It finds its application as a pharmaceutical intermediate and in the synthesis of aspidospermidine alkaloids.

1,2,3,4-Tetrahydrocarbazole can be used as a starting material to prepare:

Spiro[cyclopentane-1,2′-indolin-3′-one] by photooxygenation.9-Acyl-1,2,3,4-tetrahydrocarbazoles by N-acylation reactions.Carbazole via palladium-catalyzed asymmetric hydrogenation reaction.

Specifications

Synonyms

1, 2, 3, 4, -TETRAHYDROCARBAZOLE | 1H-Carbazole, 2, 3, 4, 9-tetrahydro- | CARBAZOLE, 5, 6, 7, 8-TETRAHYDRO- | SY033427 | 1H-Carbazole, 3, 4, 9-tetrahydro- | DTXSID00240969 | InChI=1/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1, 3, 5, 7, 13H, 2, 4, 6, 8H | 2, 3-Tetramethyl

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181886
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181886
• Canonical Smiles: C1CCC2=C(C1)C3=CC=CC=C3N2
• IUPAC Name: 2,3,4,9-tetrahydro-1H-carbazole
• InChIKey: XKLNOVWDVMWTOB-UHFFFAOYSA-N
• INCHI: 1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
• Isomeric SMILES: C1CCC2=C(C1)C3=CC=CC=C3N2
• WGK Germany: 2
• RTECS: FE6300000
• PubChem CID: 13664
• Molecular Weight: 171.24
• Beilstein: 20416
• Reaxy-Rn: 133771

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 3-alkylindole - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water. Solubility in methanol (almost transparency).
• Sensitivity: Light sensitive
• Boil Point(°C): 186°C/10mmHg(lit.)
• Melt Point(°C): 119 °C
• Molecular Weight: 171.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 171.105 Da
• Monoisotopic Mass: 171.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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