3-Ethynylpiperidine hydrochloride

Base Information

• Chemical Name: 3-Ethynylpiperidine hydrochloride
• CAS No.: 959918-19-5
• Molecular Formula: C7H11N.HCl
• Molecular Weight: 145.632
• European Community (EC) Number: 853-719-4
• DSSTox Substance ID: DTXSID30694810
• Mol file: 959918-19-5.mol

Synonyms:3-ETHYNYLPIPERIDINE HYDROCHLORIDE;959918-19-5;3-Ethynylpiperidine HCl;3-ethynylpiperidine;hydrochloride;3-Ethynylpiperidinehydrochloride;3-ethynyl piperidine HCl;SCHEMBL3760607;AMY4285;DTXSID30694810;DOVRPBHQYGSJIU-UHFFFAOYSA-N;MFCD12546352;AKOS016001246;SB19936;DS-13584;CS-0040070;3-Ethynylpiperidine--hydrogen chloride (1/1);EN300-269412;P11485;A852175;J-512446;F2167-2866;Z1741980183

Chemical Property of 3-Ethynylpiperidine hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 1.75000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.0658271
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

99.3% ^*data from raw suppliers

3-Ethynylpiperidinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1CCCNC1.Cl

Technology Process of 3-Ethynylpiperidine hydrochloride

There total 1 articles about 3-Ethynylpiperidine 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: 86.0%

tert-butyl 3-ethynylpiperidine-1-carboxylate (664362-16-7) → 3-ethynylpiperidine hydrochloride (959918-19-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 16h;

Reference yield: 45.0%

3-ethynylpiperidine hydrochloride (959918-19-5) + 5-iodo-1-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-1H-benzo[d]imidazole → 1-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-5-(4-(piperidin-3-yl)-1H-1,2,3-triazol-1-yl)-1H-benzo[d]imidazole

Guidance literature:

With copper(l) iodide; sodium azide; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; potassium carbonate; sodium L-ascorbate; In water; dimethyl sulfoxide; at 20 ℃; for 16h;

upstream raw materials:

tert-butyl 3-ethynylpiperidine-1-carboxylate

Refernces

• 1、 -. "FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS". Page/Page column 59. . Retrieved 2008/06/13.