4-(Pyrrolidin-1-ylmethyl)piperidine

Base Information

• Chemical Name: 4-(Pyrrolidin-1-ylmethyl)piperidine
• CAS No.: 683772-11-4
• Molecular Formula: C10H20N2
• Molecular Weight: 168.2792
• Hs Code.: 2933990090
• European Community (EC) Number: 804-069-5
• DSSTox Substance ID: DTXSID50588040
• Wikidata: Q82480524
• Mol file: 683772-11-4.mol

Synonyms:4-(pyrrolidin-1-ylmethyl)piperidine;683772-11-4;4-[(Pyrrolidin-1-yl)methyl]piperidine;4-Pyrrolidin-1-ylmethyl-piperidine;SCHEMBL528918;DTXSID50588040;NMCMCSHJONWGMS-UHFFFAOYSA-N;AKOS000124161;MCULE-3642011495;SB41754;BS-13646;DB-117410;CS-0271788;EN300-42643;4-(1-Pyrrolidinylmethyl)piperidine, AldrichCPR;Z317037034

Chemical Property of 4-(Pyrrolidin-1-ylmethyl)piperidine

Chemical Property:

• PSA: 15.27000
• LogP: 1.34850
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.162648646
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%min ^*data from raw suppliers

4-(Pyrrolidin-1-ylmethyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2CCNCC2

Technology Process of 4-(Pyrrolidin-1-ylmethyl)piperidine

There total 5 articles about 4-(Pyrrolidin-1-ylmethyl)piperidine 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:

4-((pyrrolidin-1-yl)methyl)piperidine-1-carboxylic acid tert-butyl ester (683772-10-3) → 4-(pyrrolidin-1-ylmethyl)piperidine (683772-11-4)

Guidance literature:

4-((pyrrolidin-1-yl)methyl)piperidine-1-carboxylic acid tert-butyl ester; With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 12h;

With sodium hydroxide;

Reference yield:

piperidin-4-yl(pyrrolidin-1-yl)methanone (35090-95-0) → 4-(pyrrolidin-1-ylmethyl)piperidine (683772-11-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.ejmech.2018.03.060

Reference yield:

tert-butyl 4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate (188979-06-8) → 4-(pyrrolidin-1-ylmethyl)piperidine (683772-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane / 0 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C

With lithium aluminium tetrahydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.ejmech.2018.03.060

upstream raw materials:

4-((pyrrolidin-1-yl)methyl)piperidine-1-carboxylic acid tert-butyl ester

piperidin-4-yl(pyrrolidin-1-yl)methanone

tert-butyl 4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid