rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride CAS 2044705-72-6
| CAS No. | 2044705-72-6 |
| Molecular Formula | C16H19N3O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride (CAS 2044705-72-6), molecular formula C16H19N3O2HCl and molecular weight 321.81 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride (C16H19N3O2HCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H19N3O2 2*HCl |
| Molecular Weight | 321.81 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 11,16-Dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate (CAS 213905-35-2)
- 5-(Bis(4-(tert-butyl)benzyl)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile (CAS 956691-68-2)
- (2,2-Dimethyl-3-oxo-1-piperazinyl)acetic acid hydrochloride (CAS 1216443-97-8)
- 2,5-Dichloro-N-[2-(2,5-dimethylphenoxy)-propyl]aniline (CAS 1040683-75-7)
- N-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-(7-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CAS 946346-30-1)
- 2-((4,6-Diethoxy-1,3,5-triazin-2-yl)(methyl)amino)ethanol (CAS 53207-76-4)
- Orlistat Impurity 37 (CAS CATO-C4X-149937)
- 1-(6-(1-Methyl-1H-pyrazol-4-yl)indolizin-3-yl)-1H-pyrazole-3-carboxylic acid (CAS 1422063-51-1)
- 3-(((1-Ethyl-1H-pyrazol-3-yl)methyl)amino)-1-methyl-1H-pyrazole-5-carboxamide hydrochloride (CAS 1856097-12-5)
- Insulin Lispro (CAS 133107-64-9)
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