3,3-Difluoropiperidine

Base Information

• Chemical Name: 3,3-Difluoropiperidine
• CAS No.: 363179-66-2
• Molecular Formula: C5H9F2N
• Molecular Weight: 121.13
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10374289
• Wikidata: Q82162819
• ChEMBL ID: CHEMBL1162290
• Mol file: 363179-66-2.mol

Synonyms:3,3-difluoropiperidine;363179-66-2;3,3-DIFLUORO-PIPERIDINE;Piperidine, 3,3-difluoro-;3,3-Difluoro-piperidinium;SCHEMBL13517;CHEMBL1162290;DTXSID10374289;QNNONMBPEAULFR-UHFFFAOYSA-N;3,3-difluoro-piperidine, AldrichCPR;AKOS005064052;SB41166;A6287;CS-0060769;FT-0702046;EN300-216086;W16714;3,3-Difluoro-piperidine;3,3-Difluoropiperidine;F2148-2178

Chemical Property of 3,3-Difluoropiperidine

Chemical Property:

• Vapor Pressure: 20mmHg at 25°C
• Refractive Index: 1.401
• Boiling Point: 114.3 °C at 760 mmHg
• PKA: 6.51±0.10(Predicted)
• Flash Point: 22.9 °C
• PSA: 12.03000
• Density: 1.089 g/cm³
• LogP: 1.33390
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 121.07030562
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

97% ^*data from raw suppliers

3,3-Difluoropiperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)(F)F

Technology Process of 3,3-Difluoropiperidine

There total 1 articles about 3,3-Difluoropiperidine 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:

N-t-butyl-3-piperidone (59554-81-3) → 3,3-difluoropiperidine hydrochloride (363179-66-2)

Guidance literature:

N-t-butyl-3-piperidone; With (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; at 0 - 20 ℃;

With water; sodium hydroxide; In dichloromethane;

With hydrogenchloride; In water; at 60 ℃; for 1.5h;

Reference yield: 89.0%

(S)-phenyl-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)carbamate + 3,3-difluoropiperidine hydrochloride (363179-66-2) → (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3,3-difluoropiperidine-1-carboxamide

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 4h;

DOI:10.1016/j.bmc.2013.09.049

Reference yield: 88.0%

C30H27F3N4O7 + 3,3-difluoropiperidine hydrochloride (363179-66-2) → N-(3-(2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl)-6-(3-morpholinophenoxy)-4-oxo-3,4-dihydroquinazolin-7-yl)-2-((4-(trifluoromethyl)benzyl)oxy)acetamide

Guidance literature:

C₃₀H₂₇F₃N₄O₇; With 1-hydroxy-pyrrolidine-2,5-dione; diisopropyl-carbodiimide; In tetrahydrofuran; at 20 ℃;

3,3-difluoropiperidine hydrochloride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2020.112723

upstream raw materials:

N-t-butyl-3-piperidone

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