Description

CID 71464115, with CAS number 935534-56-8, is a high-purity chemical compound with the molecular formula C₁₅H₁₇F₆NO₅. This specialized compound, known as (S)-1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylethanamine (S)-2-hydroxysuccinate, is designed for research and pharmaceutical applications requiring chiral specificity and trifluoromethyl functionality. Its unique structure combines a bis(trifluoromethyl)phenyl group with a hydroxysuccinate moiety, making it valuable for asymmetric synthesis, medicinal chemistry, and ligand development. Our product is rigorously tested for purity (>98% by HPLC) and stability, ensuring reliable performance in sensitive experiments. Each batch is supplied with comprehensive analytical data, including NMR, LC-MS, and chiral HPLC profiles, to support your research needs.

Properties

• CAS Number: 935534-56-8
• Complexity: 379
• IUPAC Name: (1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-ethanamine;(2S)-2-hydroxybutanedioic acid
• InChI: InChI=1S/C11H11F6N.C4H6O5/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;5-2(4(8)9)1-3(6)7/h3-6,18H,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)/t6-;2-/m00/s1
• InChI Key: HBPYTBKIFYFGLU-FMEGDIDESA-N
• Exact Mass: 405.10109162
• Molecular Formula: C15H17F6NO5
• Molecular Weight: 405.29
• SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC.C([C@@H](C(=O)O)O)C(=O)O
• Topological: 107
• Monoisotopic Mass: 405.10109162
• Synonyms: 935534-56-8, (S)-1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylethanamine (S)-2-hydroxysuccinate, DTXSID00855895, (1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine;(2S)-2-hydroxybutanedioic acid, AKOS016012064, (S)-1-(3,5-bis(trifluoromethyl)phenyl)-N-methylethan-1-amine (S)-2-hydroxysuccinate, (S)-1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylethanamine(S)-2-hydroxysuccinate, (2S)-2-Hydroxybutanedioic acid–(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethan-1-amine (1/1)

CID 71464115 is primarily used as a chiral intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical research targeting central nervous system (CNS) disorders. Its trifluoromethyl groups enhance metabolic stability and bioavailability, making it valuable for drug discovery programs. The compound has shown utility as a building block for NK1 receptor antagonists and other neuroactive compounds. Researchers also employ it in asymmetric catalysis studies due to its stereochemical purity.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Eye Dam. 1 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.