Description

4-Propylcyclohexane-1-carbonyl chloride (CAS No. 67589-88-2) is a high-purity organic compound with the molecular formula C₁₀H₁₇ClO. This trans-configuration cyclohexane derivative features a propyl substituent at the 4-position and a reactive carbonyl chloride group, making it a valuable intermediate in synthetic organic chemistry. The compound is supplied as a clear to slightly yellow liquid with a characteristic acyl chloride odor, and it is highly reactive toward nucleophiles such as alcohols, amines, and water. Suitable for use in peptide coupling reactions, Friedel-Crafts acylation, and other acylations, this reagent is rigorously quality-controlled to ensure consistency in research and industrial applications. Store under inert gas (e.g., nitrogen or argon) at 2-8°C to prevent hydrolysis.

Properties

• CAS Number: 67589-88-2
• Complexity: 148
• IUPAC Name: 4-propylcyclohexanecarbonyl chloride
• InChI: InChI=1S/C10H17ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3
• InChI Key: NMZPWKRKMBJEOZ-UHFFFAOYSA-N
• Exact Mass: 188.0967929
• Molecular Formula: C10H17ClO
• Molecular Weight: 188.69
• SMILES: CCCC1CCC(CC1)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 188.0967929
• Synonyms: Cyclohexanecarbonyl chloride, 4-propyl-, trans-, 67589-88-2, SCHEMBL4482942, SCHEMBL7522154, NMZPWKRKMBJEOZ-KYZUINATSA-N, NMZPWKRKMBJEOZ-UHFFFAOYSA-N, 4-Propyl-cyclohexanecarbonyl chloride, trans-4-propylcyclohexanecarbonyl chloride, trans-4-n-propylcyclohexanecarbonyl chloride, trans-4-propylcyclohexanecarboxylic acid chloride, trans-4-n-propylcyclohexanecarboxylic acid chloride

Application

4-Propylcyclohexane-1-carbonyl chloride is primarily used as a key building block in pharmaceutical and agrochemical synthesis, enabling the introduction of the 4-propylcyclohexyl moiety into target molecules. Its acyl chloride functionality facilitates efficient amide bond formation in peptide-mimetic drugs and polymer chemistry. Researchers also employ it in material science for modifying surfaces or creating specialized monomers. The compound’s stability in anhydrous conditions makes it suitable for multi-step synthetic routes.

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