(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate CAS 942070-92-0
| CAS No. | 942070-92-0 |
| Molecular Formula | C21H31BClNO6 |
| Molecular Weight | 439.74 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 (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate.
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (CAS 942070-92-0), molecular formula C21H31BClNO6 and molecular weight 439.74 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 439.74 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 Formula | C21H31BClNO6 |
| Molecular Weight | 439.74 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (E)-{[6-(4-chlorobenzenesulfinyl)pyridin-3-yl]methylidene}[(2,4-dichlorophenyl)methoxy]amine (CAS 338967-00-3)
- {2-[(2,4-dichlorophenyl)sulfanyl]pyridin-3-yl}methyl N-(4-chlorophenyl)carbamate (CAS 339278-59-0)
- tert-Butyl (2-((2-(4-chlorophenyl)-1-iodopropan-2-yl)oxy)ethyl)carbamate (CAS 271245-28-4)
- {2-[(2-chlorophenyl)sulfanyl]pyridin-3-yl}methyl N-(3,5-dichlorophenyl)carbamate (CAS 338413-62-0)
- (S)-3-(Boc-amino)-4-phenylbutyric acid (CAS 51871-62-6)
- 1-(2-(Cyclopropylmethoxy)-6-hydroxyphenyl)ethanone (CAS 405239-70-5)
- ethyl 3-sulfamoylbenzoate (CAS 59777-68-3)
- 2-(Dimethylamino)-1,3-benzoxazole-6-carboxylic acid (CAS 1393746-53-6)
- 1-[(4-Methoxyphenyl)methyl]cyclopropan-1-amine hydrochloride (CAS 29813-01-2)
- 2,4,5-Trifluorocinnamic acid (CAS 247170-17-8)
- Vonoprazan Fumarate Impurity 19 (CAS 161958-62-9)
- N1-[3,5-di(trifluoromethyl)phenyl]-2-chloro-2-(2-chlorophenyl)acetamide (CAS 284674-71-1)
- 2-Chloro-5-methylbenzenethiol (CAS 856352-61-9)
- Glucagon receptor antagonist I (CAS 438618-32-7)
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