(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile CAS 861210-06-2

Purity 97%+In StockPharmaceutical Standards
CAS No.861210-06-2
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile CAS 861210-06-2 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 (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile.

(Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile (CAS 861210-06-2), molecular formula C20H13N3O3 and molecular weight 343.34 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C20H13N3O3, (Z)-2-(1,3-benzodioxol-5-yl)-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile contains a steroid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 343.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC20H13N3O3
Molecular Weight343.34 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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