N-Benzylhydroxylamine hydrochloride RC00227

Manufacturer: Hangzhou Royalchem Co.,LTD.

Website:   www.cnroyalchem.com

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

Here is a detailed product description for   N-Benzylhydroxylamine hydrochloride  (CAS 29601-98-7):

1. Chemical Identification:  *  CAS Number:  29601-98-7 *  Systematic Name (IUPAC):  Benzenemethanamine, N-hydroxy-, hydrochloride *  Common Name:  N-Benzylhydroxylamine hydrochloride; O-Benzylhydroxylamine hydrochloride (less common) *  Molecular Formula:  C₇H₁₀ClNO (C₇H₉NO · HCl) *  Molecular Weight:  159.62 g/mol *  Synonyms:  Benzylhydroxylamine HCl; N-(Phenylmethyl)hydroxylamine hydrochloride; Benzenemethanamine, N-hydroxy-, hydrochloride (1:1); Hydroxylamine, N-benzyl-, hydrochloride.

2. Physical Description:  *  Appearance:  Typically a white to off-white crystalline powder. *  Melting Point:  Approximately 124-128 °C (with decomposition).  Note: Melting point can vary slightly depending on purity and heating rate. Decomposition commonly occurs near melting.  *  Solubility:  * Freely soluble in water. * Soluble in methanol and ethanol. * Sparingly soluble or insoluble in non-polar organic solvents like diethyl ether, hexane, and chloroform. *  Hygroscopicity:  May be slightly hygroscopic; absorbs moisture from the air over time.

3. Chemical Structure & Properties:  *  Structure:  Consists of a hydroxylamine group (-NHOH) where the hydrogen on the nitrogen atom is replaced by a benzyl group (C₆H₅CH₂-), forming the hydrochloride salt (· HCl). The structure is  C₆H₅-CH₂-NH-OH · HCl . *  Core Functional Group:  N-Substituted hydroxylamine (specifically, N-alkylhydroxylamine). *  Reactivity:  *  Nucleophilicity:  The oxygen atom of the hydroxylamine group is a strong nucleophile, readily reacting with carbonyl compounds (aldehydes, ketones) to form  N-Benzylhydroxamic acids  (RC(=O)NHOBn) and  N-Benzylnitrones  (R₁R₂C=NOBn), which are valuable intermediates. *  Redox Activity:  Can act as a reducing agent under certain conditions. Can be oxidized. *  Salt Properties:  Behaves as a typical hydrochloride salt. The ionic character enhances water solubility and stability compared to the free base.

4. Stability & Handling:  *  Storage:  Store tightly sealed in a cool (<25°C), dry place. For long-term storage (months/years), refrigeration (2-8°C) or freezing is recommended to minimize decomposition. Protect from light and moisture. *  Stability:  Relatively stable when stored properly but can decompose over time, especially upon exposure to moisture, heat, or light. Solutions may degrade more rapidly. *  Sensitivity:  Sensitive to strong oxidizing agents and strong acids/bases. May decompose upon heating above melting point. *  Peroxide Formation:  N-Substituted hydroxylamines like this  can  potentially form explosive peroxides upon prolonged storage, especially in solution or when crystallized from organic solvents prone to peroxide formation (like ethers). While less common than with ethers, appropriate caution and testing are advisable for aged samples or solutions.

5. Applications (Primary Uses):  *  Synthesis of Hydroxamic Acids:  Widely used as a key reagent for the preparation of N-benzyl hydroxamic acids (RC(=O)NHOBn) via reaction with carboxylic acids, esters, or activated acid derivatives. Hydroxamic acids are important ligands in medicinal chemistry (e.g., metalloenzyme inhibitors like HDAC inhibitors), flotation agents, and metal chelators. *  Synthesis of Nitrones:  Reacts readily with aldehydes to form stable N-benzyl nitrones (RCH=NOBn). Nitrones are valuable intermediates in organic synthesis (e.g., 1,3-dipolar cycloadditions for heterocycle synthesis), spin-trapping agents in biochemistry, and precursors to N-benzyl hydroxylamines. *  Radical Trapping:  Used as a specific trap for alkyl radicals (R•) in mechanistic studies, forming stable aminoxyl radicals (R₁R₂NO•) or ultimately aliphatic N-benzylhydroxylamines (R₁R₂N-OBn). *  Ligand Synthesis:  Serves as a building block for synthesizing more complex ligands used in coordination chemistry and catalysis. *  Protecting Group:  The benzyl group can sometimes act as a protecting group for the hydroxylamine functionality, removable by hydrogenolysis. 

6. Safety & Hazards:  *  Hazard Classification:  Typically classified as: *  Acute Toxicity (Oral, Dermal):  Category 4 (Harmful) - H302, H312, H332 *  Skin Corrosion/Irritation:  Category 2 (Causes skin irritation) - H315 *  Serious Eye Damage/Irritation:  Category 2A (Causes serious eye irritation) - H319 *  Specific Target Organ Toxicity (Single Exposure):  Category 3 (Respiratory tract irritation) - H335 *  (Potential) Skin Sensitization:  Category 1B (May cause an allergic skin reaction) - H317 (often assigned due to structural similarity to sensitizing aromatic amines/hydroxylamines). *  GHS Pictograms:  GHS07 (Exclamation Mark) *  Hazard Statements (H-Codes):  H302 (Harmful if swallowed), H312 (Harmful in contact with skin), H315 (Causes skin irritation), H317 (May cause an allergic skin reaction), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), H335 (May cause respiratory irritation). *  Precautionary Statements (P-Codes):  P261 (Avoid breathing dust/fume/gas/mist/vapours/spray), P264 (Wash hands thoroughly after handling), P270 (Do not eat, drink or smoke when using this product), P271 (Use only outdoors or in a well-ventilated area), P272 (Contaminated work clothing should not be allowed out of the workplace), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P301+P312 (IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell), P302+P352 (IF ON SKIN: Wash with plenty of soap and water), P304+P340 (IF INHALED: Remove person to fresh air and keep comfortable for breathing), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing), P312 (Call a POISON CENTER or doctor/physician if you feel unwell), P321 (Specific treatment (see ... on this label)), P330 (Rinse mouth), P332+P313 (If skin irritation occurs: Get medical advice/attention), P333+P313 (If skin irritation or rash occurs: Get medical advice/attention), P337+P313 (If eye irritation persists: Get medical advice/attention), P362 (Take off contaminated clothing and wash before reuse), P403+P233 (Store in a well-ventilated place. Keep container tightly closed), P405 (Store locked up), P501 (Dispose of contents/container to...). *  Handling Precautions:  Handle in a well-ventilated fume hood. Wear appropriate personal protective equipment (PPE): safety glasses or goggles, chemical-resistant gloves (e.g., nitrile), and a lab coat. Avoid contact with skin, eyes, and clothing. Avoid breathing dust. Do not eat, drink, or smoke in areas where the chemical is handled. Practice good hygiene.