Description

Tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate (CAS No. 1312131-45-5) is a high-purity, synthetic organic compound with the molecular formula C₁₂H₂₂ClNO₃. This versatile intermediate features a piperidine core functionalized with both chloromethyl and hydroxymethyl groups at the 4-position, protected by a tert-butyloxycarbonyl (Boc) group. With a molecular weight of 263.76 g/mol, this compound is ideal for pharmaceutical research, medicinal chemistry, and peptide synthesis. The Boc group enhances solubility in organic solvents while providing selective deprotection capabilities. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), it is rigorously tested for consistency and stability. Store under inert conditions at 2-8°C for optimal shelf life. Available in research quantities from milligrams to kilograms with custom packaging options.

Properties

• CAS Number: 1312131-45-5
• Complexity: 267
• IUPAC Name: tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
• InChI: InChI=1S/C12H22ClNO3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9H2,1-3H3
• InChI Key: CSLWIKIJFFEYPB-UHFFFAOYSA-N
• Exact Mass: 263.1288213
• Molecular Formula: C12H22ClNO3
• Molecular Weight: 263.76
• SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCl
• Topological: 49.8
• Monoisotopic Mass: 263.1288213
• Synonyms: 1312131-45-5, tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate, 985-474-5, 4-Chloromethyl-4-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl ester, MFCD23726559, SCHEMBL2446921, CSLWIKIJFFEYPB-UHFFFAOYSA-N, AKOS027251281, AS-73384, DA-46187, CS-0047252, 1-Boc-4-chloromethyl-4-hydroxymethyl-piperidine, EN300-7399838, tert-butyl4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Application

This compound serves as a key building block in the synthesis of complex pharmaceutical agents, particularly in the development of protease inhibitors and receptor modulators. The reactive chloromethyl group enables facile functionalization through nucleophilic substitution reactions, while the hydroxymethyl group provides an additional site for derivatization. Researchers utilize this Boc-protected intermediate in solid-phase peptide synthesis and combinatorial chemistry workflows. Its structural features make it valuable for creating constrained peptidomimetics and bioactive small molecules targeting neurological disorders.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.