- Assay (HPLC): ≥98.0% (reagent grade); ≥99.0% (pharmaceutical intermediate grade)
- Appearance: White to off-white crystalline powder
- Loss on Drying: ≤0.5%
- Residue on Ignition: ≤0.1%
- Single Impurity: ≤0.2%
- Total Impurity: ≤1.0%
- Heavy Metal (as Pb): ≤10 ppm
- Optical Rotation: +12.0° to +15.0° (c=1.0, MeOH, 20℃, 589nm) (predicted based on chiral configuration)
- Chiral Purity (HPLC): ≥99.0% (enantiomeric excess, ee≥98%)
Applications
CAS 66605-58-1 is an important chiral carbamate derivative and a key intermediate in organic synthesis and pharmaceutical research, with unique functional group combinations (Boc protective group, benzyl ether group, hydroxymethyl group and chiral center), which can provide flexible structural modification sites for the synthesis of target compounds[1]. It is mainly used in the synthesis of chiral drugs, bioactive molecules and peptides, and is an indispensable building block in the field of chiral synthesis. The Boc protective group in its molecule can be selectively removed under mild acidic conditions (such as trifluoroacetic acid, hydrochloric acid), and the benzyl ether group can be removed by catalytic hydrogenation (using palladium carbon as a catalyst), which is convenient for the step-by-step synthesis and structural modification of target molecules, and improves the efficiency and purity of synthesis. It is widely used in the research and development of pharmaceutical products such as anti-tumor drugs, anti-inflammatory drugs and central nervous system drugs; the chiral center and functional groups in its structure can regulate the biological activity, enantioselectivity and pharmacokinetic properties of the target drug, providing important support for the development of new drugs with high efficiency and low toxicity. In addition, it serves as a standard substance in chiral synthesis research and pharmaceutical quality control, ensuring the accuracy and reliability of synthesis and detection processes. It can also be used in the study of organic reaction mechanisms, especially in the research of Boc protection/deprotection reactions, benzyl ether hydrogenation deprotection reactions and chiral molecule modification reactions, providing a basis for the innovation and optimization of chemical synthesis technology. Due to its good chemical reactivity and chiral stability, it is also widely used in the development of peptide drugs and other bioactive molecules, playing an important role in promoting the progress of pharmaceutical and chemical industries.
Safety Information
- Hazard Category: Irritant (GHS hazard symbol: GHS07; hazard statements: H315, H319, H335), with certain potential hazards that require standard operating procedures during handling and use
- Hazards: It is irritating to the skin, eyes and respiratory tract; direct skin contact may cause skin irritation, such as redness, itching, dryness and mild allergic reactions, and long-term contact may lead to skin dryness and chapping. Eye contact may cause severe eye irritation, including conjunctival hyperemia, burning sensation, corneal irritation and blurred vision, which may cause persistent discomfort if not treated in time. Inhalation of dust or vapor may cause respiratory tract irritation, such as cough, chest tightness, sore throat and difficulty breathing, especially for people with respiratory system diseases, which may aggravate symptoms. There is no obvious acute toxicity, but accidental ingestion may cause gastrointestinal discomfort such as nausea, vomiting, abdominal pain and diarrhea.
- Operation Precautions: All operations shall be carried out in a well-ventilated fume hood and under dark conditions to avoid light; operators shall wear nitrile gloves, protective clothing, safety goggles and dust mask to avoid direct contact, inhalation of dust and accidental ingestion. Do not eat, drink or smoke during operation; clean the face and hands thoroughly after operation to prevent residual substances from causing harm. The operation area shall be equipped with emergency rescue equipment and first aid drugs; avoid contact with strong acids, strong bases, strong oxidants and heavy metal ions to prevent decomposition, racemization and side reactions.
- Storage & Transportation Requirements: It shall be stored in a sealed double aluminum vacuum packaging with desiccant inside, and the outer packaging shall be reinforced with HDPE barrel or cardboard barrel; the storage temperature shall be controlled at 2–8 ℃ (refrigeration), protected from light, moisture and high temperature. Transportation shall adopt full cold chain, avoid violent vibration, sun exposure and moisture; it shall be transported in accordance with the regulations of general hazardous chemicals, and shall not be mixed with food, feed, strong oxidants, strong bases and heavy metal compounds. Common packaging specifications include 100mg, 1g, 10g, 100g, which can meet the needs of laboratory, pharmaceutical research and small-scale production.
- Waste Disposal: Waste residues and contaminated packaging shall be disposed of in strict accordance with the management regulations of hazardous chemicals, and shall not be directly discharged into water bodies, soil or sewers to avoid environmental pollution; the waste shall be collected and treated by professional hazardous waste disposal institutions in accordance with relevant regulations.
- First Aid Measures: In case of skin contact, immediately take off contaminated clothes, rinse thoroughly with plenty of soapy water and clean water for at least 15 minutes, and seek medical advice if there is discomfort; in case of eye contact, rinse with plenty of water for at least 15 minutes and seek medical advice in time; in case of accidental ingestion, do not induce vomiting, keep the patient in a supine position, and seek medical treatment immediately with the product label; in case of inhalation discomfort, move to a well-ventilated place and seek medical advice if symptoms persist.
- Safety Instructions: S26 (In case of contact with eyes, rinse immediately with plenty of water and seek medical advice); S36/37/39 (Wear suitable protective clothing, gloves and eye/face protection);
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