Description

(S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-amine fumarate (CAS No. 1214741-14-6) is a high-purity chiral compound with the molecular formula C₂₄H₂₃F₆NO₅. This specialized chemical features a stereochemically defined structure, incorporating both trifluoromethylphenyl and phenylbutenylamine moieties, with a fumarate counterion for enhanced stability. Its IUPAC name is (2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine;(E)-but-2-enedioic acid, reflecting its precise stereochemistry. The compound is supplied as a crystalline solid with documented purity ≥95% by HPLC, ideal for pharmaceutical research, asymmetric synthesis, and medicinal chemistry applications. Strict quality control ensures batch-to-batch consistency, with NMR, MS, and elemental analysis verification. Store desiccated at -20°C under inert atmosphere for optimal shelf life.

Properties

• CAS Number: 1214741-14-6
• Complexity: 611
• IUPAC Name: (2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenyl-but-3-en-2-amine;fumaric acid
• InChI: InChI=1S/C20H19F6NO.C4H4O4/c1-3-18(27,15-7-5-4-6-8-15)12-28-13(2)14-9-16(19(21,22)23)11-17(10-14)20(24,25)26;5-3(6)1-2-4(7)8/h3-11,13H,1,12,27H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-,18-;/m1./s1
• InChI Key: OWHDANIMBINPCO-GFLCPJROSA-N
• Exact Mass: 519.14804181
• Molecular Formula: C24H23F6NO5
• Molecular Weight: 519.4
• SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@](C=C)(C2=CC=CC=C2)N.C(=C/C(=O)O)C(=O)O
• Topological: 110
• Monoisotopic Mass: 519.14804181
• Synonyms: 1214741-14-6, (S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-amine fumarate, (2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine;(E)-but-2-enedioic acid, (S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-aminefumarate, Benzenemethanamine, alpha-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-alpha-ethenyl-, (alphaS)-, (2Z)-2-butenedioate (1:1), C24H23F6NO5, EX-A1288C, AKOS030573305, DS-19755, CS-0186146

Application

This chiral amine-fumarate salt serves as a key intermediate in the synthesis of NK₁ receptor antagonists and other neuropharmacological agents. Its stereospecific structure makes it valuable for studying enantioselective interactions in medicinal chemistry. Researchers utilize it to develop novel therapeutics targeting CNS disorders, leveraging its trifluoromethyl groups for enhanced metabolic stability. The fumarate salt form improves solubility for biological testing.

Safety and Hazards

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (100%)

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