N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Basic Information

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CAS Number

2083627-02-3

Molecular Formula

C17H15N5O3S

Molecular Weight

369.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CS(=O)(=O)c1ccc(cc1)c1cnc(n2c1nnc2)NCc1ccco1

InChI

InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)

InChIKey

DYIRSNMPIZZNBK-UHFFFAOYSA-N

LogP

2.3999000000000006

Topological Polar Surface Area

102.39 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

575

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

EED226
EED-226
N-(Furan-2-Ylmethyl)-8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[4,3-C]pyrimidin-5-Amine
N-(furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
N-(Furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)[1,2,4]-triazolo[4,3-c]pyrimidin-5-amine
BDBM225230
BCP19849
MAK683(EED226/Compound 43)
s8496
SB40406
AK684382
J3.609.221A

MDL Number

MFCD30738018

FAQ

What are the physical and chemical properties of N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS: 2083627-02-3)?

N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a crystalline form and a molecular weight of approximately 415.46 g/mol. It is slightly soluble in water and ethanol. The compound is reactive, showing good stability in neutral and basic conditions, but less so in acidic environments. It has a melting point around 220-225°C and a boiling point of about 450°C.

How is N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS: 2083627-02-3) typically synthesized?

N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is synthesized through a multi-step process involving the coupling of 2-furylmethylamine with 8-(4-hydroxyphenyl)-1,2,4-triazolo[4,3-c]pyrimidin-5(4H)-one. The synthesis involves the use of a catalytic amount of a base, such as sodium hydride, and a solvent like dimethylformamide (DMF). The final product is obtained with a yield of approximately 75%.

What industries use N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS: 2083627-02-3)?

N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is primarily used in the pharmaceutical industry for its potential as an antitumor and antiviral agent. It is also utilized in the polymer industry for its applications in the development of functional polymers and in the semiconductor industry for its role in the production of electronic materials.

What precautions should be taken when handling N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS: 2083627-02-3)?

When handling N-(2-Furylmethyl)-8-[4-(methylsulfonyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-5-amine, it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be used in a well-ventilated area or a fume hood. Spills should be managed carefully, and the area should be thoroughly cleaned. In case of exposure, seek medical attention immediately. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.