Description

trans-tert-Butyl 4-hydroxycyclohexanecarboxylate (CAS No. 931110-79-1) is a high-purity cyclohexane derivative with the molecular formula C₁₁H₂₀O₃. This compound, also known by its IUPAC name tert-butyl 4-hydroxycyclohexane-1-carboxylate, is a valuable intermediate in organic synthesis and pharmaceutical research. The trans-configuration of the hydroxyl and carboxylate groups ensures optimal reactivity for stereoselective transformations. Our product is rigorously tested to meet >98% purity standards (HPLC) and is supplied as a colorless to pale-yellow liquid or low-melting solid under ambient conditions. Ideal for use in chiral synthesis, catalysis, and medicinal chemistry applications where precise stereochemistry is critical. Available in research (1g, 5g, 25g) and bulk quantities with custom purity and packaging options upon request.

Properties

• CAS Number: 931110-79-1
• Complexity: 197
• IUPAC Name: tert-butyl 4-hydroxycyclohexanecarboxylate
• InChI: InChI=1S/C11H20O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9,12H,4-7H2,1-3H3
• InChI Key: MVSANBPTBLEQMT-UHFFFAOYSA-N
• Exact Mass: 200.14124450
• Molecular Formula: C11H20O3
• Molecular Weight: 200.27
• SMILES: CC(C)(C)OC(=O)C1CCC(CC1)O
• Topological: 46.5
• Monoisotopic Mass: 200.14124450
• Synonyms: 869193-57-7, trans-tert-Butyl 4-hydroxycyclohexanecarboxylate, tert-Butyl 4-hydroxycyclohexanecarboxylate, cis-tert-Butyl 4-hydroxycyclohexane-1-carboxylate, 931110-79-1, trans-4-Hydroxy-cyclohexane-carboxylic acid tert-butyl ester, tert-butyl trans-4-hydroxycyclohexanecarboxylate, tert-Butyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate, 220179-93-1, TERT-BUTYL 4-HYDROXYCYCLOHEXANE-1-CARBOXYLATE, MFCD28383630, SCHEMBL603520, SCHEMBL603521, SCHEMBL4892934, cis-1-Boc-4-hydroxycyclohexane, MVSANBPTBLEQMT-DTORHVGOSA-N, MVSANBPTBLEQMT-KYZUINATSA-N, MVSANBPTBLEQMT-UHFFFAOYSA-N, MFCD29917338, BS-44527, BS-45497, DB-299224, CS-0188457, trans-t-Butyl 4-hydroxycyclohexanecarboxylate, F73439, P21144, A1-00408, 4-hydroxy-cyclohexanecarboxylic acid tert-butyl ester, tert-Butyl(1r,4r)-4-hydroxycyclohexane-1-carboxylate, cis-4-hydroxy-cyclohexanecarboxylic acid tert-butyl ester, trans 4-Hydroxy-cyclohexanecarboxylic acid tert-butyl ester, trans-4-hydroxy-cyclohexanecarboxylic acid tert-butyl ester

Application

This compound serves as a key chiral building block for asymmetric synthesis of pharmaceuticals and agrochemicals. The trans-4-hydroxycyclohexane scaffold is particularly useful in designing conformationally restricted analogs of bioactive molecules. Researchers utilize it in the development of enzyme inhibitors and receptor modulators due to its defined stereochemistry. The tert-butyl ester group provides excellent stability while allowing for selective deprotection under mild acidic conditions.

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