CAS 1394040-18-6

1,1-Dimethylethyl 6-chloro-3,4-dihydro-1-methylpyrrolo[1,2-a]pyrazine-2(1H)-carboxylate

Description:

1,1-Dimethylethyl 6-chloro-3,4-dihydro-1-methylpyrrolo[1,2-a]pyrazine-2(1H)-carboxylate, with CAS number 1394040-18-6, is a chemical compound characterized by its complex structure, which includes a pyrrolo[1,2-a]pyrazine core. This compound features a chloro substituent at the 6-position and an ester functional group at the 2-position, contributing to its reactivity and potential applications in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its solubility and biological activity. The compound's unique structural features suggest potential utility in medicinal chemistry, particularly in the development of pharmaceuticals. Its synthesis and characterization would typically involve standard organic reactions, and its properties can be further explored through spectroscopic methods such as NMR and mass spectrometry. As with many chemical substances, safety data sheets should be consulted for handling and storage guidelines, as well as potential hazards associated with its use.

Formula: C₁₃H₁₉ClN₂O₂

InChI: InChI=1S/C13H19ClN2O2/c1-9-10-5-6-11(14)16(10)8-7-15(9)12(17)18-13(2,3)4/h5-6,9H,7-8H2,1-4H3

InChI key: InChIKey=DCRNVENRAYVRTG-UHFFFAOYSA-N

SMILES: CC1C=2N(CCN1C(OC(C)(C)C)=O)C(Cl)=CC2

Synonyms:

• Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 6-chloro-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 6-chloro-3,4-dihydro-1-methylpyrrolo[1,2-a]pyrazine-2(1H)-carboxylate

tert-Butyl 6-chloro-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate

CAS: 1394040-18-6

Versatile small molecule scaffold

Formula: C₁₃H₁₉ClN₂O₂

Purity: Min. 95%

Molecular weight: 270.75 g/mol

Ref: 3D-UFC04018