4-Hydroxycarbazole - ≥95% , CAS No.52602-39-8

CAS: 52602-39-8 Cat. No.: H123286 Formule: C₁₂H₉NO Poids moléculaire: 183.21 Numéro CE: 258-034-9

GRADE & PURITY ≥95%

Synonyms

4-hydroxycarbazol | KS-1022 | PHXATPHONSXBIL-UHFFFAOYSA- | 9H-Carbazol-4-ol | BDBM50127697 | BP-12456 | UNII-3D95E7727V | BCP08901 | N-(4-(4-amino-7-(4-hydroxycyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl)-2,3-dichlorobenzenesulfonamide | AC

Storage

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Vue d’ensemble

description du produit

le 4-Hydroxycarbazole peut être obtenu à partir du 1,2,3,4-tétrahydro-4-oxocarbazole par déshydrogénation avec du nickel de Raney fraîchement préparé.

application：

le 4-hydroxycarbazole peut être utilisé dans la synthèse des produits suivants :

4-(2-bromoéthoxy)-9H-carbazole

4-(3-bromopropoxy)-9H-carbazole

4-(4-bromobutoxy)-9H-carbazole

4-(5-bromopentyloxy)-9H-carbazole

4-(6-bromohexyloxy)-9H-carbazole

Il participe en tant que donneur d'électrons à la préparation de chromophores optiques non linéaires (ONL).

Specifications

Synonymes

4-hydroxycarbazol | KS-1022 | PHXATPHONSXBIL-UHFFFAOYSA- | 9H-Carbazol-4-ol | BDBM50127697 | BP-12456 | UNII-3D95E7727V | BCP08901 | N-(4-(4-amino-7-(4-hydroxycyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl)-2,3-dichlorobenzenesulfonamide | AC

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504756564

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756564

Sourires canoniques

C1=CC=C2C(=C1)C3=C(N2)C=CC=C3O

IUPAC Name

9H-carbazol-4-ol

InChIKey

UEOHATPGKDSULR-UHFFFAOYSA-N

INCHI

1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H

Isomères SMILES

C1=CC=C2C(=C1)C3=C(N2)C=CC=C3O

WGK Allemagne

3

Poids moléculaire

183.21

Reaxy-Rn

143005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143005&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Hydroxyindoles Indoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Hydroxyindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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

Cibles associées (humaines)

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Discover Target: TYR

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SH-SY5Y (11521 Activities)

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HepG2 (196354 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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Cibles associées (non humaines)

Staphylococcus aureus (210822 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Air Sensitive
• Point de fusion (°C): 169°C-173°C
• Poids moléculaire: 183.210 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 183.068 Da
• Monoisotopic Mass: 183.068 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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