tert-Butyl 2-cyano-2-(5-fluoropyridin-2-yl)acetate CAS 1956367-23-9
| CAS No. | 1956367-23-9 |
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-Butyl 2-cyano-2-(5-fluoropyridin-2-yl)acetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
tert-Butyl 2-cyano-2-(5-fluoropyridin-2-yl)acetate (CAS 1956367-23-9), molecular formula C12H13FN2O2 and molecular weight 236.24 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, tert-Butyl 2-cyano-2-(5-fluoropyridin-2-yl)acetate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 236.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-Butyl 2-cyano-2-(5-fluoropyridin-2-yl)acetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; 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.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Thieno[2,3:4,5]benzo[1,2-d][1,3]dioxole-6-carboxylic acid methyl ester (CAS 19492-85-4)
- 1-(2-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS 1956370-66-3)
- (3R)-4-(4-Fluorobenzoyl)-3-methyl-2-piperazinone (CAS 1892599-91-5)
- 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS 1956379-88-6)
- Methyl 3-Hydroxybenzofuran-2-carboxylate (CAS 5117-55-5)
- 2,3-Diamino-6-(difluoromethyl)-5-hydroxypyridine (CAS 1805319-95-2)
- 4-(Pyridin-2-yl)oxazole (CAS 681135-55-7)
- 2-((N-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)-4-methoxyphenyl)sulfonamido)-N,N-dimethylacetamide (CAS 400085-62-3)
- 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-amine (CAS 1566546-85-7)
- 926258-12-0 1-(4-Isopropyl-benzoyl)-piperazine MFCD06795920 (CAS 926258-12-0)
- 5-Bromo-2-(cyclopropylmethyl)pyridazin-3(2h)-one (CAS 1936387-82-4)
- 1-(5-(Dimethylamino)pyrazin-2-yl)ethanone (CAS 214701-22-1)
- N-(1-(1-Benzoyl-4,5-dimethyl-1H-pyrrol-2-yl)ethyl)benzamide (CAS 61009-72-1)
- Exenatide Acetate (CAS 141732-76-5)
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