4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine hydrochloride

Base Information

• Chemical Name: 4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine hydrochloride
• CAS No.: 782504-63-6
• Molecular Formula: C₁₄H₁₅F₆N*ClH
• Molecular Weight: 347.731
• DSSTox Substance ID: DTXSID30589994
• Mol file: 782504-63-6.mol

Synonyms:782504-63-6;4-[3,5-BIS-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE HYDROCHLORIDE;4-[3,5-BIS-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE HCL;4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride;4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine, HCl;DTXSID30589994;AR1835;MFCD03840143;AKOS025404268;AS-45217;CS-0171611;A914335;4-(3,5-Bis(trifluoromethyl)benzyl)piperidinehydrochloride;4-[3,5-BIS-(TRIFLUOROMETHYL)BENZYL]PIPERIDINEHYDROCHLORIDE;4-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHYL}PIPERIDINE HYDROCHLORIDE;4-{[3,5-Bis(trifluoromethyl)phenyl]methyl}piperidine--hydrogen chloride (1/1);414910-34-2

Chemical Property of 4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 5.39710
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 347.0875462
• Heavy Atom Count: 22
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

4-[3,5-Bis-(Trifluoromethyl)Benzyl]Piperidine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl

Technology Process of 4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine hydrochloride

There total 4 articles about 4-[3,5-Bis-(trifluoromethyl)benzyl]piperidine 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%

4-{[3,5-bis(trifluoromethyl)phenyl]methyl}pyridine (782504-59-0) → 4-{[3,5-bis(trifluoromethyl)phenyl]methyl}piperidine hydrochloride (782504-63-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; at 65 ℃; under 7500.75 Torr;

DOI:10.1002/ejoc.200400215

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → 4-{[3,5-bis(trifluoromethyl)phenyl]methyl}piperidine hydrochloride (782504-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 49 percent / tetrahydrofuran / 10 h / 20 °C

2: 91 percent / H₂; H₂SO₄ / Pd/C / acetic acid / 35 °C / 750.08 Torr

3: 95 percent / H₂ / Pd/C / acetic acid / 65 °C / 7500.75 Torr

With sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; acetic acid;

DOI:10.1002/ejoc.200400215

Reference yield:

3,5-bis(trifluoromethyl)phenylmagnesium bromide (112981-69-8) → 4-{[3,5-bis(trifluoromethyl)phenyl]methyl}piperidine hydrochloride (782504-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 49 percent / tetrahydrofuran / 10 h / 20 °C

2: 91 percent / H₂; H₂SO₄ / Pd/C / acetic acid / 35 °C / 750.08 Torr

3: 95 percent / H₂ / Pd/C / acetic acid / 65 °C / 7500.75 Torr

With sulfuric acid; hydrogen; palladium on activated charcoal; In tetrahydrofuran; acetic acid;

DOI:10.1002/ejoc.200400215

upstream raw materials:

4-{[3,5-bis(trifluoromethyl)phenyl]methyl}pyridine

pyridine-4-carbaldehyde

3,5-bis(trifluoromethyl)phenylmagnesium bromide

[3,5-bis(trifluoromethyl)phenyl](pyridin-4-yl)methanol

Refernces