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

CAS: 13106-85-9 Cat. No.: T161682 Formula: C₇H₁₀N₂O₃ Peso molecolare: 170.17 Beilstein Registry Number: 23550 Numero EC: 631-335-6 PubChem CID: 726938

QUALITÀ & PUREZZA ≥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

Panoramica

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.

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488191269

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191269

Sorrisi canonici

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

Isomeri SMILES

COC1=CC(=NC(=N1)OC)OC

WGK Germania

3

PubChem CID

726938

Peso molecolare

170.17

Beilstein

23550

Reaxy-Rn

139786

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di ebollizione (°C): 232°C(lit.)
• Punto di fusione (°C): 51-56 °C
• Peso molecolare: 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