Description

(2R)-1-(2-bromo-5-fluoro-4-nitroanilino)-3-phenylmethoxypropan-2-ol (CAS No. 1342896-73-4) is a high-purity chiral compound with the molecular formula C₁₆H₁₆BrFN₂O₄. This specialized organic intermediate features a unique stereochemical configuration, making it valuable for asymmetric synthesis and pharmaceutical research. The compound contains a bromo-fluoro-nitroaniline moiety coupled with a phenylmethoxypropanol group, offering multiple reactive sites for further functionalization. With a molecular weight of 399.21 g/mol, it is supplied as a solid under strict quality control to ensure batch-to-batch consistency. Ideal for medicinal chemistry applications, this building block is particularly useful in the development of targeted small-molecule therapeutics.

Properties

• CAS Number: 1342896-73-4
• Complexity: 393
• IUPAC Name: (2R)-1-benzyloxy-3-(2-bromo-5-fluoro-4-nitro-anilino)propan-2-ol
• InChI: InChI=1S/C16H16BrFN2O4/c17-13-6-16(20(22)23)14(18)7-15(13)19-8-12(21)10-24-9-11-4-2-1-3-5-11/h1-7,12,19,21H,8-10H2/t12-/m1/s1
• InChI Key: LJAHPSMJKVOOLY-GFCCVEGCSA-N
• Exact Mass: 398.02775
• Molecular Formula: C16H16BrFN2O4
• Molecular Weight: 399.21
• SMILES: C1=CC=C(C=C1)COC[C@@H](CNC2=CC(=C(C=C2Br)[N+](=O)[O-])F)O
• Topological: 87.3
• Monoisotopic Mass: 398.02775
• Synonyms: 1342896-73-4, 2-Propanol, 1-[(2-bromo-5-fluoro-4-nitrophenyl)amino]-3-(phenylmethoxy)-, (2R)-, (R)-1-(Benzyloxy)-3-((2-bromo-5-fluoro-4-nitrophenyl)amino)propan-2-ol, SCHEMBL17892495, DB-203509

Application

This chiral aniline derivative serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical research targeting enzyme inhibition or receptor modulation. The presence of bromo and nitro groups allows for further cross-coupling reactions, while the fluorine atom enhances metabolic stability in drug candidates. Researchers utilize this compound in the development of CNS-active agents due to its ability to cross the blood-brain barrier. The (R)-configuration makes it valuable for stereoselective synthesis in asymmetric catalysis.

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