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7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
1. Basic Information
Name: 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Alias: Desalkylflurazepam; 7-Chloro-5-(2-fluorophenyl)-1,4-benzodiazepin-2-one
CAS No.: 2886-65-9
Molecular Formula: C15H10ClFN2O
Molecular Weight: 288.70
Category: Benzodiazepine pharmaceutical intermediate, anxiolytic/hypnotic drug core building block, controlled psychoactive raw material precursor
2. Physical and Chemical Properties
Physical Properties
- Appearance: Off-white to pale beige crystalline powder
- Odor: Faint mild heterocyclic odor, tasteless solid
- Solubility: Soluble in DCM, THF, DMF, hot ethanol, toluene; slightly soluble in cold methanol; insoluble in water, hexane, petroleum ether
- Melting Point: 212–216 ℃
- Density (predicted): 1.39 g/cm3
- Hygroscopy: Non-hygroscopic under normal ambient humidity
- Aqueous property: Neutral solid, stable in neutral water at room temperature; lactam ring hydrolyzes slowly under strong acid/strong alkali heating
Chemical Properties
- Molecular structure: 1,4-benzodiazepine seven-membered nitrogen heterocycle, 7-position chloro substitution, 5-position ortho-fluorophenyl, cyclic lactam carbonyl at C2; parent skeleton of flurazepam, alprazolam series sedative drugs
- Lactam reactivity: N1 nitrogen can undergo alkylation to introduce aminoalkyl side chains for finished benzodiazepine APIs
- Aromatic halogen stability: Aryl-Cl and aryl-F stable under neutral/weak acid; high-temperature strong alkali triggers dehalogenation
- Photodegradation: UV light induces heterocycle oxidation, powder turns tan, generates unknown related impurities
- Thermal stability: Stable below 200 ℃; prolonged heating above melting point causes slight decomposition and discoloration
- Redox compatibility: Inert to mild reducing agents; reacts with strong oxidants to produce nitrogen oxide and chlorinated aromatic byproducts
- Compatibility: Compatible with anhydrous aprotic solvents; incompatible with concentrated strong alkali, strong oxidants, heavy metal ions
3. Main Application Fields
1. Sedative & Hypnotic API Key Intermediate (Core Application)
Parent skeleton for synthesizing flurazepam and other benzodiazepine anxiolytic, sleep-aid pharmaceuticals; N-alkylation modifies the molecule to obtain finished active pharmaceutical ingredients
2. Central Nervous System Drug Synthetic Building Block
Substrate for developing new generation short-acting benzodiazepine tranquilizers and anti-convulsant drugs
3. Pharmacological Research Reference Standard
Positive control compound for GABA-A receptor binding screening in neuropharmacology labs
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 2886-65-9 |
| Molecular Formula | C15H10ClFN2O |
| Appearance | Uniform off-white crystal without dark brown impurities |
| HPLC Purity | Pharma Intermediate Grade ≥98.5% |
| Melting Point | 212–216 ℃ |
| Water Content (KF) | ≤0.20% |
| Residue on Ignition | ≤0.10% |
| Single Unknown Impurity | ≤0.10% |
| Total Related Substances | ≤0.80% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Nitrogen-filled amber light-proof aluminum foil vacuum bag; bulk 1kg/5kg light-shield PE lined fiber drum |
| Storage Condition | Hermetically sealed cool dry warehouse 2–25 ℃, full light shielding, isolate alkaline chemicals and oxidants; strict controlled storage per psychoactive precursor regulations |
| Transportation Requirement | Light-sensitive benzodiazepine controlled intermediate, sealed light-proof packaging, separate from food, daily chemicals and strong corrosives; comply with national controlled precursor transport rules |
| Shelf Life | 36 months under nitrogen vacuum sealed storage |
Safety Warning
Irritant psychoactive precursor crystalline powder. Dust severely irritates eyes, nasal and respiratory tract; repeated inhalation may cause drowsiness, dizziness. Skin/mucous contact triggers redness and itching. Strictly implement controlled chemical management procedures. All operations in light-proof fully ventilated fume hood with dust-proof respirator, UV-blocking splash goggles and thick chemical-resistant nitrile gloves. Avoid light exposure, high temperature and mixing with strong alkali/oxidants. Waste liquid treated with oxidative degradation before discharge; solid waste classified as controlled psychotropic organic hazardous waste, disposed by qualified licensed institutions. Strict record-keeping for all purchase, usage and inventory.
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