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Atomfair tert-butyl 2,3-dihydro-1H-spiro(isoquinoline-4,4′-piperidine)-2-carboxylate hydrochloride C18H27ClN2O2 CAS 889139-52-0

tert-butyl 2,3-dihydro-1H-spiro(isoquinoline-4,4′-piperidine)-2-carboxylate hydrochloride (CAS No. 889139-52-0) is a high-purity synthetic organic compound with the molecular formula C18H27ClN2O2. This spirocyclic compound features a unique structural motif combining an isoquinoline core with a piperidine ring, making it a valuable intermediate in medicinal chemistry and pharmaceutical research. The hydrochloride salt form enhances stability and solubility for experimental applications. Each batch is rigorously analyzed by HPLC, NMR, and mass spectrometry to ensure ≥95% purity, meeting the stringent requirements of research laboratories. Supplied as a white to off-white crystalline powder, this compound is packaged under inert conditions to maintain integrity.

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Description

tert-butyl 2,3-dihydro-1H-spiro(isoquinoline-4,4′-piperidine)-2-carboxylate hydrochloride (CAS No. 889139-52-0) is a high-purity synthetic organic compound with the molecular formula C18H27ClN2O2. This spirocyclic compound features a unique structural motif combining an isoquinoline core with a piperidine ring, making it a valuable intermediate in medicinal chemistry and pharmaceutical research. The hydrochloride salt form enhances stability and solubility for experimental applications. Each batch is rigorously analyzed by HPLC, NMR, and mass spectrometry to ensure ≥95% purity, meeting the stringent requirements of research laboratories. Supplied as a white to off-white crystalline powder, this compound is packaged under inert conditions to maintain integrity.

Properties

  • CAS Number: 889139-52-0
  • Complexity: 410
  • IUPAC Name: tert-butyl spiro[1,3-dihydroisoquinoline-4,4′-piperidine]-2-carboxylate;hydrochloride
  • InChI: InChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18;/h4-7,19H,8-13H2,1-3H3;1H
  • InChI Key: VZPJVDIMBQBNBX-UHFFFAOYSA-N
  • Exact Mass: 338.1761058
  • Molecular Formula: C18H27ClN2O2
  • Molecular Weight: 338.9
  • SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3(C1)CCNCC3.Cl
  • Topological: 41.6
  • Monoisotopic Mass: 338.1761058
  • Synonyms: tert-butyl 2,3-dihydro-1H-spiro[isoquinoline-4,4′-piperidine]-2-carboxylate hydrochloride, tert-butyl 2,3-dihydro-1H-spiro(isoquinoline-4,4′-piperidine)-2-carboxylate hydrochloride, 981-037-8, 889139-52-0, tert-Butyl 1H-spiro[isoquinoline-4,4′-piperidine]-2(3H)-carboxylate hydrochloride, SPIRO[ISOQUINOLINE-4(4H),4′-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE, tert-butyl spiro[1,3-dihydroisoquinoline-4,4′-piperidine]-2-carboxylate;hydrochloride, MFCD11519417, DTXSID50678293, PKB13952, AKOS016002838, MB09915, tert-Butyl1H-spiro[isoquinoline-4,4′-piperidine]-2(3H)-carboxylatehydrochloride, DS-12969, CS-0187664, EN300-7363662, TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4′-PIPERIDINE]-2(3H)-CARBOXYLATE HCL, SPIRO[ISOQUINOLINE-4(4H),4-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE, tert-Butyl 1H-spiro[isoquinoline-4,4′-piperidine]-2(3H)-carboxylate–hydrogen chloride (1/1)

Application

This spirocyclic compound serves as a key intermediate in the synthesis of bioactive molecules targeting central nervous system (CNS) disorders. Researchers utilize it in the development of novel sigma receptor ligands and potential antipsychotic agents. Its structural features make it valuable for studying allosteric modulation of neurotransmitter receptors. The compound has shown promise in early-stage drug discovery programs for neurological conditions.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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