List of Basic Product Information
| Name | Ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate |
| Alias | Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate;1H-Pyrazole-3-carboxylic acid, 5-amino-1-[(2-fluorophenyl)methyl]-, ethyl ester |
| CAS No. | 256504-39-9 |
| EINECS No. | 805-733-7 |
| chemical formula | C₁₃H₁₄FN₃O₂ |
| molecular weight | 263.27 g/mol |
| InChI | InChI=1S/C13H14FN3O2/c1-2-19-13(18)11-7-12(15)17(16-11)8-9-5-3-4-6-10(9)14/h3-7H,2,8,15H2,1H3 |
| density | 1.29±0.1g/cm³ (predicted value); experimental reference value about 1.31g/cm³ |
| boiling Point | 451.9±40.0°C (predicted value); experimental reference mean approx. 383°C |
| flash Point | approximately 227°C (experimental reference value) |
| water soluble | very slightly soluble, about 0.24g/L(25°C, calculated value) |
| vapor pressure | 0 Pa at 20°C (measured); approximately 2.33 × 10 but mmHg (predicted mean) |
| refractive index | about 1.59 (experimental reference value) |
| storage conditions | 2-8°C, dark, dry, sealed and stored; it is recommended to operate under inert atmosphere |
| sensitivity | sensitive to light and moisture; avoid contact with strong oxidants |
| appearance | beige to yellow solid powder |
| specific Gravity | approximately 1.29-1.31 (corresponding to density values, no additional specific gravity data) |
| color | white to light yellow |
| BRN number | there is no public Beilstein number data. |
| MDL No. | MFCD20268229 |
| dangerous Goods Signs | GHS07 (exclamation mark)-warning |
| risk Terms | h315: Causes skin irritation; H319: Causes severe eye irritation |
| safety terminology | P264 (clean thoroughly after operation), P280 (wear protective gloves/eye mask/mask), P302 P352 (rinse with water after skin contact), P305 P351 P338 (rinse with water after eye contact), P332 P313, P337 P313 (seek medical advice if irritation persists) |
| customs Number | common reference: 29214590 (pyrazole derivatives, may be adjusted according to specific customs declaration name); Some scenes use 38220090 |
nature
the compound is a multifunctional intermediate with amino, ethoxycarbonyl and o-fluorobenzyl on the pyrazole ring. At room temperature, it exists in the form of white to yellow solid, with moderate fat solubility (LogP about 1.41-2.1) and low solubility in water, which is suitable for subsequent conversion in organic solvent system. In the structure, the amino group (5-position) has nucleophilic reactivity, the ester group (3-position) can participate in hydrolysis, aminolysis and other transformations, and the o-fluorobenzyl group regulates the electronic effect and steric hindrance of the molecule, making it a suitable building block for the construction of fused pyrazole heterocycles. It is sensitive to light and moisture, and long-term exposure may cause color to deepen or impurities to rise, so it needs to be stored at low temperature, dark and dry conditions.
Use
this product has a clear positioning in the pharmaceutical industry: it is a core pyrazole intermediate in the synthetic route of velliseguanil (Vericiguat) and lioxigon (Riociguat). Both drugs act on the soluble guanylate cyclase (sGC) pathway and are used in the treatment of heart failure and pulmonary hypertension, respectively. Starting from this intermediate, functionalization via the amino group, aminolysis of the ester group and further cyclization or substitution of the pyrazole ring can be advanced efficiently to the target active pharmaceutical ingredient. At the level of process chemistry, the compound is considered to be one of the process scheme nodes suitable for scale-up production because of its simple linear synthesis route and good step economy.
Safety Information
according to the available GHS classification data, the substance does not belong to the very toxic or high-risk category, but has a clear local irritation: it can cause skin irritation (H315) and severe eye irritation (H319). Operation should be carried out in a well-ventilated area, wear protective gloves, goggles or face shield to avoid dust generation and inhalation; thoroughly clean the exposed parts after operation. In case of skin contact, rinse with plenty of soapy water; in case of eye contact, rinse carefully with clean water for a few minutes. Seek medical attention if irritation persists. Storage should be separated from the strong oxidant, away from fire and heat sources, keep the container closed. The product is managed by general chemicals, non-dangerous goods transport category, but still need to follow the above protection principles.
Production Advantages and Capacity of Shanghai Lizhuo Pharmaceutical Technology Co., Ltd.
Shanghai Lizhuo Pharmaceutical Technology Co., Ltd. (Shanghai Lizhuo Pharmaceutical Technology Co., Ltd.) has listed CAS 256504-39-9 as a routine production product, and has established a supply capacity from laboratory gram-level samples to ton-level and above around velisiguanidine/lioxiguan intermediates. The route is designed based on the linear conversion of the compound to the downstream CAS 1361232-72-5, which is suitable for large-scale scale scale-up and can provide customers with intermediate products with stable batch-to-batch quality and controllable impurity profile. The company has mature process development and production experience in the field of heterocyclic intermediates, and can provide different purity specifications and packaging forms (such as kg to ton packaging) according to customer needs, and supporting the corresponding quality inspection data (NMR, HPLC, GC, etc.) support. For this product, Lizhuo Pharmaceuticals is able to balance the rapid delivery of small samples with stable supply in large quantities, helping customers reduce supply chain risks at all stages from research and development to commercialization.
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Post time: Nov-03-2026
