CAS 1263094-83-2

rel-(1R,2S)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine

Description:

Rel-(1R,2S)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine is a chiral organic compound characterized by its specific stereochemistry, indicated by the (1R,2S) configuration. This compound features a butanediamine backbone, which includes two amine functional groups (-NH2) and a branched alkyl chain with a methyl group at the 3-position. The presence of a 4-bromophenyl group enhances its molecular complexity and may influence its reactivity and interactions in biological systems. The bromine atom introduces a halogen, which can affect the compound's polarity and solubility. As a diamine, it has potential applications in pharmaceuticals, particularly in the synthesis of various biologically active molecules. The stereochemistry is crucial for its biological activity, as different enantiomers can exhibit significantly different properties. Overall, this compound's unique structure and functional groups make it a subject of interest in medicinal chemistry and material science.

Formula: C₁₁H₁₇BrN₂

InChI: InChI=1/C11H17BrN2/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8/h3-7,10-11H,13-14H2,1-2H3/t10-,11+/s2

InChI key: InChIKey=FKHCYVRBONTCAI-WIBLRKLZNA-N

SMILES: [C@H]([C@@H](C(C)C)N)(N)C1=CC=C(Br)C=C1

Synonyms:

• 1,2-Butanediamine, 1-(4-bromophenyl)-3-methyl-, (1R,2S)-rel-
• rel-(1R,2S)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine