(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid CAS 1135226-98-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1135226-98-0
Molecular FormulaC16H19ClFNO5
Molecular Weight359.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid CAS 1135226-98-0 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid.

(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid (CAS 1135226-98-0) is a high-purity analytical reference standard with the molecular formula C16H19ClFNO5 and a molecular weight of 359.78 g/mol.

Structurally, (2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-chloro-2-fluorophenoxy)-2-pyrrolidinecarboxylic acid (C16H19ClFNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 359.78 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC16H19ClFNO5
Molecular Weight359.78 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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