Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate - ≥95% , CAS No.187725-00-4

CAS: 187725-00-4 Cat. No.: E182345 Peso molecular: 225.63

GRADE & PURITY ≥95%

Synonyms

AM20090098 | GS-6502 | BMVGJDTURCUCNP-UHFFFAOYSA-N | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester | FT-0650436 | DTXSID50611746 | Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate | Ethyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AM20090098 | GS-6502 | BMVGJDTURCUCNP-UHFFFAOYSA-N | 7H-Pyrrolo[2, 3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester | FT-0650436 | DTXSID50611746 | Ethyl 4-chloro-7H-pyrrolo[2, 3-d]pyrimidine-6-carboxylate | Ethyl4-chloro-7H-pyrrolo[2, 3-d]pyrimidine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CC2=C(N1)N=CN=C2Cl
• IUPAC Name: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
• InChIKey: BMVGJDTURCUCNP-UHFFFAOYSA-N
• INCHI: 1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)
• Isómeros SMILES: CCOC(=O)C1=CC2=C(N1)N=CN=C2Cl
• Peso molecular: 225.63
• Reaxy-Rn: 13676017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13676017&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Pyrrole carboxylic acids and derivatives Halopyrimidines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Pyrrole-2-carboxylic acid or derivatives - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light and moisture sensitive
• Peso molecular: 225.630 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 225.031 Da
• Monoisotopic Mass: 225.031 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252.000
• 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