3-Difluoromethylpiperidine hydrochloride

Base Information

• Chemical Name: 3-Difluoromethylpiperidine hydrochloride
• CAS No.: 1093759-69-3
• Molecular Formula: C₆H₁₁F₂N
• Molecular Weight: 135.157
• Hs Code.: 2933399990
• European Community (EC) Number: 846-905-1
• DSSTox Substance ID: DTXSID60693518
• Mol file: 1093759-69-3.mol

Synonyms:3-Difluoromethylpiperidine hydrochloride;1093759-69-3;3-(difluoromethyl)piperidine hydrochloride;3-Difluoromethylpiperidine HCl;1427455-16-0;3-(difluoromethyl)piperidine;hydrochloride;MFCD18325187;3-(Difluoromethyl)piperidine HCl;AMY7084;DTXSID60693518;DCSDOLONHQYNBB-UHFFFAOYSA-N;CHC45516;AKOS015907446;CS-W001291;SB41535;s11388;3-(difluoromethyl)piperidinehydrochloride;BS-26037;SY239789;CS-0356776;FT-0686025;EN300-1605135;J-512395;W-204718;3-(Difluoromethyl)piperidine--hydrogen chloride (1/1);Z3036775855

Chemical Property of 3-Difluoromethylpiperidine hydrochloride

Chemical Property:

• Boiling Point: 144.5±15.0 °C(Predicted)
• PKA: 9.28±0.10(Predicted)
• PSA: 12.03000
• Density: 1.020±0.06 g/cm3(Predicted)
• LogP: 2.38190
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0626334
• Heavy Atom Count: 10
• Complexity: 85.1

Purity/Quality:

98%Min ^*data from raw suppliers

3-Difluoromethylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)C(F)F.Cl

Technology Process of 3-Difluoromethylpiperidine hydrochloride

There total 2 articles about 3-Difluoromethylpiperidine 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:

2-bromo-3-(difluoromethyl)pyridine (1211515-00-2) → 3-(difluoromethyl)piperidine (1093759-69-3) + 3-Methylpiperidine (626-56-2,53152-98-0)

Guidance literature:

2-bromo-3-(difluoromethyl)pyridine; With 5% Rh/C; hydrogen; In methanol; at 25 ℃; under 760.051 Torr;

With potassium hydroxide; In diethyl ether; water; at 25 ℃; for 0.25h;

DOI:10.1016/j.jfluchem.2019.05.006

Reference yield:

2-bromopyridine-3-carboxaldehyde (128071-75-0) → 3-(difluoromethyl)piperidine (1093759-69-3) + 3-Methylpiperidine (626-56-2,53152-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethylamino-sulfur trifluoride / dichloromethane / 4 h / 25 °C

2.1: 5% Rh/C; hydrogen / methanol / 25 °C / 760.05 Torr

2.2: 0.25 h / 25 °C

With diethylamino-sulfur trifluoride; 5% Rh/C; hydrogen; In methanol; dichloromethane;

DOI:10.1016/j.jfluchem.2019.05.006

upstream raw materials:

2-bromo-3-(difluoromethyl)pyridine

2-bromopyridine-3-carboxaldehyde