3-Fluoropiperidine hydrochloride

Base Information

• Chemical Name: 3-Fluoropiperidine hydrochloride
• CAS No.: 116574-75-5
• Molecular Formula: C₅H₁₀FN
• Molecular Weight: 103.14
• Hs Code.: 2933399090
• European Community (EC) Number: 622-894-7,676-921-2
• Mol file: 116574-75-5.mol

Synonyms:3-Fluoropiperidine hydrochloride;737000-77-0;3-FLUOROPIPERIDINE HCL;3-fluoropiperidine;hydrochloride;MFCD03452799;Piperidine, 3-fluoro-, hydrochloride;3-Fluoropiperidine hydrochloride, 97%;3-fluoropiperidinehydrochloride;C5H11ClFN;SCHEMBL25959;3-Fluoro-piperidine hydrochloride;RDJUBLSLAULIAT-UHFFFAOYSA-N;3-fluoro-piperidine, hydrochloride;BCP34617;AKOS005063630;CS-W001632;PB24269;PB33693;SB10189;AS-33450;SY010384;SY097594;AM20080116;FT-0660831;EN300-127836;A837903;J-512557;(S)-3-Fluoropiperidine HCl;(3S)-3-fluoropiperidine hydrochloride

Chemical Property of 3-Fluoropiperidine hydrochloride

Chemical Property:

• Vapor Pressure: 15.4mmHg at 25°C
• Melting Point: 227 °C
• Boiling Point: 120.2 °C at 760 mmHg
• PKA: 8.48±0.10(Predicted)
• Flash Point: 26.5 °C
• PSA: 12.03000
• Density: 0.97 g/cm³
• LogP: 1.03670
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.0564052
• Heavy Atom Count: 8
• Complexity: 56

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoropiperidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)F.Cl
• Uses: 3-Fluoropiperidine is identified as a potent and selective ubiquitin-like domain-containing C-terminal domain phosphatase 1 (UBLCP1) inhibitor.

Technology Process of 3-Fluoropiperidine hydrochloride

There total 6 articles about 3-Fluoropiperidine 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:

3-Fluoropyridine (372-47-4) → piperidine (110-89-4) + 3-fluoropiperidine (104223-69-0,116574-75-5)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In methanol; at 25 ℃; for 24h; Reagent/catalyst; Catalytic behavior;

DOI:10.1021/acscatal.0c03278

Reference yield:

3-Fluoropyridine (372-47-4) → 3-fluoropiperidine (104223-69-0,116574-75-5)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; at 25 - 40 ℃; for 24h;

DOI:10.1021/acscatal.0c03278

Reference yield:

N-Boc-3-fluoropiperidine (1068560-26-8) → 3-fluoropiperidine (104223-69-0,116574-75-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 3h;

DOI:10.1021/jm031122f

upstream raw materials:

N-Boc-3-fluoropiperidine

N-tert-butoxycarbonyl-3-piperidinol

3-Fluoropyridine

Downstream raw materials:

1-(5-chloro-2-nitro-phenyl)-3-fluoro-piperidine

C₁₈H₂₂FN₃O₄S

4-((3-fluoropiperidin-1-yl)methyl)phenylboronic acid

Refernces

• 1、 Alvernhe, G.,Laurent, A.,Touhami, K.,Bartnik, R.,Mloston, G.. "SYNTHESE DE FLUORO-3 AZACYCLANES : ACTION DE L'ACIDE FLUORHYDRIQUE SUR LES AZA-1 BICYCLO ALCANES". . p. 363 - 384. Retrieved 1985.
• 2、 Senten, Kristel,Van Der Veken, Pieter,De Meester, Ingrid,Lambeir, Anne-Marie,Scharpé, Simon,Haemers, Achiel,Augustyns, Koen. "γ-amino-substituted analogues of 1-[(S)-2,4-diaminobutanoyl]piperidine as highly potent and selective dipeptidyl peptidase II inhibitors". . p. 2906 - 2916. Retrieved 2007/10/03.