tert-butyl 4-hydroxypiperidine-1-carboxylate

• ChemBase ID: 22377
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: C1C(CCN(C1)C(=O)OC(C)(C)C)O
• Canonical SMILES: OC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
• InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-hydroxypiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-hydroxypiperidine-1-carboxylate
• Synonyms: 1-BOC-4-hydroxypiperidine; tert-butyl 4-Hydroxypiperidine-1-carboxylate; 1-Boc-4-piperidinol; tert-Butyl 4-hydroxy-1-piperidinecarboxylate; 1-Boc-4-hydroxypiperidine; N-Boc-4-Piperidinol; N-BOC-4-Hydroxypiperidine; 1-(tert-Butoxycarbonyl)-4-hydroxypiperidine; tert-Butyl 4-hydroxypiperidine-1-carboxylate; 4-Hydroxypiperidine, N-BOC protected 98+%; 1-Boc-4-哌啶醇; 1-叔丁氧羰基-4-羟基哌啶; N-Boc-4-羟基哌啶; 1-Boc-4-羟基哌啶

Database IDs

• CAS Number: 109384-19-2
• EC Number: 000-000-0
• MDL Number: MFCD01075174
• Beilstein Number: 7202094
• PubChem SID: 24872977; 24873361; 160985684
• PubChem CID: 643502

CALCULATED PROPERTIES

• Acid pKa: 15.177349
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4083742
• LogD (pH = 7.4): 0.40837416
• Log P: 0.4083742
• Molar Refractivity: 53.4128 cm^3
• Polarizability: 20.97339 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 65°C; 61-65 °C(lit.); 61-65°C; 62-64°C; 62-64°C; 62-65 °C
• Partition Coefficient: 1.195
• Hydrophobicity(logP): 0.781

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (TLC); 95%; 95+%; 97%; 98%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C10H19NO3

DETAILS

Sigma Aldrich - 495484

Application
Used in a synthesis of N-heterocyclic alkyl ethers via the Mitsunobu reaction.1
Packaging
25 g in poly bottle
5 g in glass bottle