Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise specializing in the research and development, manufacturing, and sales of fine chemicals. Headquartered in Jinan, Shandong, China, we are committed to delivering high-quality products to our global partners. Currently, over 90% of our products are exported to developed markets, including North America, Europe, Japan, South Korea, and the Middle East.
Product Description
A piperidine-derived organic compound (CAS: 64544-00-9) with a piperidine ring substituted by methoxy, 3-bromo-2-oxopropyl and allyl ester groups. It is a white to off-white crystalline solid/viscous liquid, soluble in organic solvents, and widely used as a building block in organic synthesis, pharmaceutical and agrochemical R&D.
Uses
Organic Synthesis: Key intermediate for nucleophilic substitution, condensation and cyclization reactions, used to construct complex heterocyclic structures.
Pharmaceutical & Agrochemical: Used in synthesizing drug and pesticide intermediates, suitable for developing anti-inflammatory, antiviral drugs and high-activity herbicides.
Chemical Research: Model compound for piperidine derivative research and analytical reference standard for quality control.
Molecular Formula & Structure
- Molecular Formula: C??H??BrNO?
- Molecular Weight: 334.20 g/mol
- IUPAC Name: 2-(3-Bromo-2-oxopropyl)-3-methoxy-1-piperidinecarboxylic acid 2-propenyl ester
- Synonyms: Allyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate;
- SMILES Code: COC1CCCN(C1CC(=O)CBr)C(=O)OCC=C
- Chemical Structure: Piperidine core with methoxy (C3), 3-bromo-2-oxopropyl (C2) and allyl ester (N1), existing in cis/trans isomers.
Physical & Chemical Properties
- Appearance: White to off-white crystalline solid/viscous liquid, odorless or slightly characteristic odor.
- Melting Point: 68–72 °C (predicted); Density: 1.35±0.1 g/cm3 (25 °C, predicted)
- Solubility: Soluble in methanol, ethanol, DMSO; slightly soluble in water; insoluble in hexane.
- Boiling Point: 402.3±45.0 °C (predicted); Flash Point: 197.1±28.7 °C
- Stability: Stable under normal conditions; incompatible with strong oxidants/bases; avoid light, moisture and high temperature.
- Toxicity: Irritating to skin, eyes and respiratory system; LD?? (oral, rat): >1500 mg/kg (predicted).
Synthesis & Storage
- Synthesis: Prepared by reacting 3-methoxypiperidine-1-carboxylic acid allyl ester with bromo-carbonyl compounds, purified by chromatography/recrystallization (yield 65–75%).
- Storage: Sealed, light-proof; stored at 2–8 °C (long-term); shelf life 2 years; avoid oxidants and moisture.
- Safety: Operate in well-ventilated area with protective gear; avoid contact and inhalation; follow chemical waste disposal regulations.
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