1-Benzylpiperidin-3-ol hydrochloride

Base Information

• Chemical Name: 1-Benzylpiperidin-3-ol hydrochloride
• CAS No.: 105973-51-1
• Molecular Formula: C12H17NO^.HCl
• Molecular Weight: 227.734
• Hs Code.: 29333999
• DSSTox Substance ID: DTXSID30584868
• Mol file: 105973-51-1.mol

Synonyms:105973-51-1;1-Benzyl-3-piperidinol hydrochloride;1-Benzylpiperidin-3-ol hydrochloride;1-Benzyl-3-piperidinol HCl;1-benzylpiperidin-3-ol;hydrochloride;1-Benzyl-3-piperidinol, HCl;1-Benzyl-3-hydroxypiperidine hydrochloride;SCHEMBL5343928;DTXSID30584868;1-benzyl-3-hydroxypiperidine HCl;BENXYLPENICILLINPROCAINESALT;PHJDPNCYJSWYGY-UHFFFAOYSA-N;MFCD00044200;AKOS015913847;SB43227;1-benzyl3-hydroxypiperidine hydrochloride;1-(phenylmethyl)-3-piperidinol hydrochloride;1-(phenylmethyl)piperidin-3-ol hydrochloride;CS-0199572;F13235;1-Benzylpiperidin-3-ol--hydrogen chloride (1/1);A801344;SR-01000488839;SR-01000488839-1;W-204593

Chemical Property of 1-Benzylpiperidin-3-ol hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.000631mmHg at 25°C
• Melting Point: 174-178 °C
• Boiling Point: 330.6 °C at 760 mmHg
• Flash Point: 153.7 °C
• PSA: 23.47000
• LogP: 2.38320
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.1076919
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

99.0% ^*data from raw suppliers

1-Benzyl-3-piperidinolHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)O.Cl

Technology Process of 1-Benzylpiperidin-3-ol hydrochloride

There total 1 articles about 1-Benzylpiperidin-3-ol hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

N-benzyl-3-(tert-butyldimethylsiloxy)piperidin → N-benzyl-3-hydroxypiperidine hydrochloride (105973-51-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; at 20 ℃; for 1h; Solvent;

Reference yield:

N-benzyl-3-hydroxypiperidine hydrochloride (105973-51-1) → 1-benzyl-3-piperidone (40114-49-6)

Guidance literature:

With dipyridinium dichromate; In dichloromethane;

DOI:10.1016/j.bmcl.2007.02.053

Reference yield:

N-benzyl-3-hydroxypiperidine hydrochloride (105973-51-1) → C14H18N4 (623581-36-2)

Guidance literature:

Multi-step reaction with 3 steps

1: PDC / CH₂Cl₂

2: Ti(OiPr)4; NaCNBH₃ / ethanol / 20 h

3: HCOONH₄ / Pd/C / methanol / 4 h / Heating

With titanium(IV) isopropylate; dipyridinium dichromate; ammonium formate; sodium cyanoborohydride; palladium on activated charcoal; In methanol; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2007.02.053

Downstream raw materials:

1-benzyl-3-piperidone

C₁₉H₂₁N₅O

C₂₁H₂₄N₄

C₁₄H₁₈N₄