1-Ethyl 2-(phenylmethyl) (1S,3aR,6aS)-4,4-difluorohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate CAS 90000-39-8

Purity 97%+In StockPharmaceutical Standards
CAS No.90000-39-8
Molecular FormulaC7H12N2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Ethyl 2-(phenylmethyl) (1S,3aR,6aS)-4,4-difluorohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate CAS 90000-39-8 chemical structure

Description

The occurrence of 1-Ethyl 2-(phenylmethyl) (1S,3aR,6aS)-4,4-difluorohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate is closely related to a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 1-Ethyl 2-(phenylmethyl) (1S,3aR,6aS)-4,4-difluorohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate (CAS 90000-39-8), a certified reference material (molecular formula C7H12N2HCl, MW 160.65 g/mol) for analytical method development and quality control.

1-Ethyl 2-(phenylmethyl) (1S,3aR,6aS)-4,4-difluorohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate (C7H12N2HCl) contains a nitrile group, chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC7H12N2 2*HCl
Molecular Weight160.65 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1982
Halogen ContentCl-containing
Nitrogen Atoms2

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