Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate | CAS No. 1869118-24-0

Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate

Basic Information

CAS Number

1869118-24-0

Molecular Formula

C16H16N4O4S

Molecular Weight

360.4 g/mol

AD

Basic Physical Properties

Density

1.43±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (6.5E-3 g/L) (25 ºC),

CCOC(=O)Nc1cnc2c(n1)ccn2S(=O)(=O)c3ccc(cc3)C

InChI

InChI=1S/C16H16N4O4S/c1-3-24-16(21)19-14-10-17-15-13(18-14)8-9-20(15)25(22,23)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,19,21)

InChIKey

NROPCWMCOWTXAZ-UHFFFAOYSA-N

LogP

2.5451200000000007

Topological Polar Surface Area

103.17999999999998 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

571

Synonyms & References

English

  • N-[5-[(4-Methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamic acid ethyl ester
  • AMY16525
  • C(C)OC(NC=1N=C2C(=NC=1)N(C=C2)S(=O)(=O)C1=CC=C(C)C=C1)=O
  • ethyl N-[5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]carbamate

MDL Number

MFCD31706010

FAQ

What are the physical and chemical properties of Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate (CAS: 1869118-24-0)?

Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate is a crystalline solid with a molecular weight of approximately 447.55 g/mol. It has a solubility of about 0.4 g/L in water. The compound is reactive towards nucleophiles and exhibits good stability in acidic and basic conditions. It is also stable to light and air, but should be stored away from moisture and heat.

How is Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate (CAS: 1869118-24-0) typically synthesized?

Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate can be synthesized through a multistep process involving the synthesis of the pyrazinone derivative, followed by alkylation with ethyl isothiocyanate. The reaction involves the use of a suitable base such as potassium carbonate and is typically conducted in an aprotic solvent like dimethylformamide (DMF) at room temperature. The final product is obtained through hydrolysis of the resulting isothiocyanate ester.

What industries use Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate (CAS: 1869118-24-0)?

Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate is primarily used in the pharmaceutical industry for its potential as a medicinal compound. It may also have applications in the polymer industry for its structural properties and in sensor technology due to its chemical reactivity. Further research is ongoing to explore its potential in semiconductor materials and other advanced materials.

What precautions should be taken when handling Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate (CAS: 1869118-24-0)?

When handling Ethyl {5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl}carbamate, it is recommended to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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