Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate CAS 2042170-68-1

Purity 97%+In StockPharmaceutical Standards
CAS No.2042170-68-1
Molecular FormulaC13H21F2NO4
Molecular Weight293.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate CAS 2042170-68-1 chemical structure

Description

The occurrence of Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate (CAS 2042170-68-1) is a high-purity analytical reference standard with the molecular formula C13H21F2NO4 and a molecular weight of 293.31 g/mol.

Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate (C13H21F2NO4) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; 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.

CATO manufactures Methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC13H21F2NO4
Molecular Weight293.31 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1997
Halogen ContentF-containing
Nitrogen Atoms1

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