Description

(5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol dihydrochloride (CAS No. 1373116-07-4) is a high-purity synthetic compound with the molecular formula C₁₆H₁₈Cl₂F₂N₂O. This bicyclic amine derivative features a stereochemically defined structure with a 2,3-difluorophenyl substituent and an amino-alcohol functional group, making it a valuable intermediate for pharmaceutical research and medicinal chemistry applications. The dihydrochloride salt form ensures enhanced stability and solubility for experimental use. This compound is rigorously characterized by ¹H NMR, ¹³C NMR, and HPLC to guarantee ≥95% purity, meeting the stringent requirements of drug discovery programs. Supplied as a white to off-white crystalline solid in amber glass vials under inert atmosphere to prevent degradation.

Properties

• CAS Number: 1373116-07-4
• Complexity: 357
• IUPAC Name: (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;dihydrochloride
• InChI: InChI=1S/C16H16F2N2O.2ClH/c17-12-5-1-3-9(14(12)18)10-6-7-13(21)16-11(15(10)19)4-2-8-20-16;;/h1-5,8,10,13,15,21H,6-7,19H2;2*1H/t10-,13+,15-;;/m0../s1
• InChI Key: CVLHZDNYCBDZFV-YXZKBNGESA-N
• Exact Mass: 362.0764249
• Molecular Formula: C16H18Cl2F2N2O
• Molecular Weight: 363.2
• SMILES: C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)O.Cl.Cl
• Topological: 59.1
• Monoisotopic Mass: 362.0764249
• Synonyms: 1373116-07-4, (5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol dihydrochloride, starbld0043794, SCHEMBL12469633, CS-0010827

Application

This compound serves as a key chiral building block for the synthesis of potential CNS-active pharmaceuticals due to its structural similarity to known neuroactive scaffolds. Researchers may employ it in the development of novel dopamine or serotonin receptor modulators. The difluorophenyl moiety enhances metabolic stability in drug candidates, while the amino-alcohol group provides a handle for further derivatization. Suitable for high-throughput screening libraries targeting GPCRs or neurotransmitter transporters.

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