2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-acrylic acid methyl ester CAS 213741-30-1
| CAS No. | 213741-30-1 |
| Molecular Formula | C16H18F3NO4 |
| Molecular Weight | 345.31 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 2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-acrylic acid methyl ester.
2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-acrylic acid methyl ester (CAS 213741-30-1), molecular formula C16H18F3NO4 and molecular weight 345.31 g/mol, is a CATO reference standard with documented purity and traceability.
2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-acrylic acid methyl ester (C16H18F3NO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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.
As a certified reference material (CRM), 2-tert-Butoxycarbonylamino-3-(4-trifluoromethyl-phenyl)-acrylic acid methyl ester 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 | C16H18F3NO4 |
| Molecular Weight | 345.31 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2018 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related tert Standards
- 1993557-66-6 2-tert-Butoxycarbonylamino-3-(3-trifluoromethyl-phenyl)-acrylic acid methyl ester (CAS 1993557-66-6)
- 5-(2-tert-Butoxycarbonylamino-ethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester (CAS 1188338-55-7)
- 2-tert-Butoxycarbonylamino-2-methylpropionic acid iodomethyl ester (CAS 1581704-59-7)
- [1-(tert-butoxycarbonylamino)cyclopropyl]methyl 4-methylbenzenesulfonate (CAS 1429913-33-6)
- [2-(tert-butoxycarbonylamino)-5,7-difluoro-1,3-benzothiazol-4-yl]boronic acid (CAS 2415163-54-9)
- 67385-10-8 [2-(2-tert-Butoxycarbonylamino-ethyldisulfanyl)-ethyl]-carbamic acid tert-butyl ester di-tert-butyl (disulfanediylbis(ethane-2,1-diyl))dicarbamate (CAS 67385-10-8)
- [2-(Tert-butoxycarbonylamino)-3-cyano-7-fluoro-benzothiophen-4-yl]boronic acid (CAS 2892621-47-3)
- 2-(tert-Butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic Acid (CAS 132718-70-8)
Recommended Standards
- 2-(1-((Benzyloxy)carbonyl)-2-(trifluoromethyl)piperidin-4-yl)acetic acid (CAS 2306265-52-9)
- 3-(3-Amino-3-carboxypropyl)uridine (CAS 52745-94-5)
- 2-((4-Fluorophenyl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 329779-76-2)
- 3,8-Dinitro-6-phenyl-phenanthridine (CAS 82921-86-6)
- β-Nicotinamide Adenine Dinucleotide Sodium Salt Hydrate (CAS CATO-CCPE901561)
- Methyl 3-ethylthiophene-2-carboxylate (CAS 189331-46-2)
- Fmoc-p-Me-D-Phe-OH (CAS 204260-38-8)
- Rel-(3S,5R)-3,5-dimethyl-1-(naphthalen-2-ylsulfonyl)piperazine (CAS 1187929-41-4)
- 4-Amino-5-[(4-methoxyphenyl)methyl]-4h-1,2,4-triazole-3-thiol (CAS 93073-14-4)
- 4-((4-Ethoxy-3-methylphenyl)sulfonyl)-2-phenylmorpholine (CAS 946292-26-8)
- [1,4-Bipiperidine]-1-carbonyl-1-carboxylic Acid tert-Butyl Ester (CAS 125541-12-0)
- 8-(Piperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (CAS 956431-60-0)
- Orforglipron impurity 82 (CAS CATO-C4X-323482)
- Tau Peptide (306-336) (Repeat 3 Domain) trifluoroacetate salt (CAS 330456-26-3)
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