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
trans-4-Methylcyclohexyl isocyanate is a moisture-sensitive aliphatic isocyanate compound, appearing as a colorless transparent liquid. It is a key intermediate for the drug glimepiride, with stable chemical properties under proper storage, and is widely used in pharmaceutical synthesis and fine chemical production.
Uses
Pharmaceutical Intermediate: Core intermediate for the synthesis of glimepiride, a drug used for the treatment of type 2 diabetes mellitus.
Fine Chemicals: Used in the synthesis of polyurethanes, carbamates and other fine chemicals; also used as a reagent in organic synthesis reactions.
Molecular Formula & Structure
- Molecular Formula: C?H??NO
- Molecular Weight: 139.19 g/mol
- IUPAC Name: (1R,4R)-4-methylcyclohexyl isocyanate
- Synonyms: trans-1-Isocyanato-4-methylcyclohexane; Isocyanic acid trans-4-methylcyclohexyl ester;
- EC Number: 608-715-5
- SMILES Code: (C@@H)1(N=C=O)CC(C@@H)(C)CC1
- Chemical Structure: Aliphatic isocyanate with a trans-4-methylcyclohexane core structure, containing an isocyanate group (-NCO) attached to the cyclohexane ring, which is moisture-sensitive and prone to hydrolysis reactions.
Physical & Chemical Properties
- Appearance: Colorless transparent liquid, no visible impurities, no obvious odor.
- Density: 1.04 g/cm3 (25 °C); Melting Point: No obvious melting point (liquid at room temperature).
- Solubility: Sparingly soluble in chloroform; slightly soluble in methanol; insoluble in water, prone to hydrolysis in aqueous solution.
- Boiling Point: 182 °C (atmospheric pressure); Flash Point: 60 °C (flammable liquid).
- Stability: Stable under dry, inert atmosphere; moisture-sensitive, easy to hydrolyze when in contact with water; incompatible with strong acids and bases; flammable, avoid open flames and high temperatures.
- Toxicity: May cause skin and eye irritation; harmful if inhaled or swallowed; avoid direct contact and inhalation of vapors.
Synthesis & Storage
- Synthesis: Mainly prepared by two methods: 1. Using p-cresol as raw material, through Raney Ni/H? reduction, sodium hypochlorite oxidation, oximation, Zn/acetic acid reduction to obtain trans-4-methylcyclohexylamine, then reacting with triphosgene to obtain the product; 2. Novel process: trans-4-methylcyclohexylamine undergoes carbonylation reaction with carbon dioxide under the action of a cobalt-based porous organic cage bifunctional catalyst to obtain the product, which can realize the recycling of catalysts and solvents.
- Storage: Sealed in airtight, moisture-proof, light-proof containers; stored in a cool, dry, well-ventilated warehouse; long-term storage at -20 °C under nitrogen atmosphere; short-term storage at 2–8 °C; avoid moisture, open flames, high temperatures and incompatible substances; shelf life is 12 months when unopened.
- Safety: Operate in a well-ventilated fume hood; wear professional protective gear (nitrile gloves, goggles, lab coat, respirator); use non-sparking tools and explosion-proof equipment; avoid contact with skin and eyes, avoid inhalation of vapors; keep away from children and food containers; dispose of waste in accordance with relevant regulations.
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