P-tolyl(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone CAS 478078-90-9
| CAS No. | 478078-90-9 |
| Molecular Formula | C14H13F3N2O |
| Molecular Weight | 282.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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 P-tolyl(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone.
P-tolyl(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (CAS 478078-90-9), molecular formula C14H13F3N2O and molecular weight 282.26 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of P-tolyl(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (C14H13F3N2O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), P-tolyl(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone 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 | C14H13F3N2O |
| Molecular Weight | 282.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related P Standards
- 2-(P-tolyl)quinoline-4-carbonyl chloride (CAS 860112-78-3)
- 5-(O-tolyl)-4-(p-tolyl)-4h-1,2,4-triazole-3-thiol (CAS 893725-02-5)
- 5-(P-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CAS 676254-55-0)
- 6-(p-Tolyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CAS 674283-92-2)
- 3-(p-Tolyl)tetrahydrothieno[3,4-d]thiazol-2(3H)-one 5,5-dioxide (CAS 392309-05-6)
- 2-((4-(M-tolyl)piperazin-1-yl)sulfonyl)ethan-1-amine (CAS 951919-75-8)
- 1-(O-tolyl)-5-(p-tolyl)-1h-imidazole-2-thiol (CAS 1105188-84-8)
- (4-(4-(p-Tolyl)thiazol-2-yl)phenyl)methanamine (CAS 951912-74-6)
Recommended Standards
- PPDN (CAS 215611-93-1)
- tert-Butyl 4-(2,2,2-Trifluoroacetyl)piperazine-1-carboxylate (CAS 77278-37-6)
- N-isopropyl-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CAS 338418-21-6)
- tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate (CAS 215654-52-7)
- 4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine (CAS 100478-25-9)
- (2-Hydroxy-4-(trifluoromethoxy)phenyl)boronic acid (CAS 1309768-22-6)
- Tributylstannyl bis(trimethylsilyl) phosphate (CAS 74785-85-6)
- 4-Chloro-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 1956326-99-0)
- N-(2,4-difluorophenyl)-3-((3-(trifluoromethyl)benzyl)thio)thiophene-2-carboxamide (CAS 250714-47-7)
- (2R-Cis)-4-Amino-1[2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-2(1H)-Pyrimidinone Salicylate Monohydrate (CAS 173522-96-8)
- 5-((Tert-butyldimethylsilyl)oxy)-2,3-dihydrobenzofuran-3-ol (CAS 1375471-40-1)
- 6-(aminomethyl)pyridine-2-carboxamide (CAS 94413-68-0)
- (Z)-4-((tert-Butylthio)methylene)-3-phenylisoxazol-5(4H)-one (CAS 61861-80-1)
- Ephrin-A2-Selective YSA-Peptide (CAS 532441-10-4)
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