2,4,6-Trimethoxypyrimidine - ≥98%(GC) , CAS No.13106-85-9

CAS: 13106-85-9 Cat. No.: T161682 Peso molecular: 170.17 Beilstein Registry Number: 23550 Número EC: 631-335-6 PubChem CID: 726938

GRADE & PURITY ≥98%(GC)

Synonyms

RJVAFLZWVUIBOU-UHFFFAOYSA- | 2,4,6-Trimethoxypyrimidine, 99% | A806194 | SY052763 | Pyrimidine, 2,4,6-trimethoxy- | J-005933 | AKOS005423746 | MFCD00829225 | STK257528 | SCHEMBL439716 | DTXSID80352453 | AS-31467 | SB57349 | HMS1661D06 | 2,4,6-Trimethoxypy

Storage

Room temperature

Shipped In

Normal

Descripción general

2,4,6-Trimethoxypyrimidine is a pyrimidine derivative. One of the methods reported for its synthesis is by the reaction of 2,4,6-trichloropyrimidine with sodium ethoxide at 70-100°C. Its transformation into 1,6-dihydro-2,4-dimethoxy-1-methyl-6-oxopyrimidine by Hilbert-Johnson reaction has been reported.

Specifications

Sinónimos

RJVAFLZWVUIBOU-UHFFFAOYSA- | 2, 4, 6-Trimethoxypyrimidine, 99% | A806194 | SY052763 | Pyrimidine, 2, 4, 6-trimethoxy- | J-005933 | AKOS005423746 | MFCD00829225 | STK257528 | SCHEMBL439716 | DTXSID80352453 | AS-31467 | SB57349 | HMS1661D06 | 2, 4, 6-Trimethoxypy

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488191269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191269
• Sonrisas canónicas: COC1=CC(=NC(=N1)OC)OC
• IUPAC Name: 2,4,6-trimethoxypyrimidine
• InChIKey: RJVAFLZWVUIBOU-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
• Isómeros SMILES: COC1=CC(=NC(=N1)OC)OC
• WGK Alemania: 3
• PubChem CID: 726938
• Peso molecular: 170.17
• Beilstein: 23550
• Reaxy-Rn: 139786

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Solubilidad: Soluble in Methanol
• Punto de ebullición (°C): 232°C(lit.)
• Punto de fusión (°C): 51-56 °C
• Peso molecular: 170.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 170.069 Da
• Monoisotopic Mass: 170.069 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 122.000
• 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