2-Pyrrolidin-1-ylmethyl-piperidine

Base Information

• Chemical Name: 2-Pyrrolidin-1-ylmethyl-piperidine
• CAS No.: 100158-63-2
• Molecular Formula: C10H20 N2
• Molecular Weight: 168.282
• Hs Code.: 2933990090
• European Community (EC) Number: 672-340-3
• Nikkaji Number: J1.247.571C
• Mol file: 100158-63-2.mol

Synonyms:2-Pyrrolidin-1-ylmethyl-piperidine;100158-63-2;2-(pyrrolidin-1-ylmethyl)piperidine;2-(1-pyrrolidinylmethyl)piperidine;2-Pyrrolidin-1-ylmethylpiperidine;2-(1-pyrrolidinylmethyl)-piperidine;112419-06-4;Piperidine, 2-(1-pyrrolidinylmethyl)-, (S)-;(2R)-2-(1-Pyrrolidinylmethyl)piperidine;(2S)-2-(1-Pyrrolidinylmethyl)piperidine;2-(Pyrrolizinomethyl)piperidine;SCHEMBL1994507;GJJCBYJAVZCDCB-UHFFFAOYSA-N;2-pyrrolidin-1-ylmethyl piperidine;112419-05-3;BBL020116;MFCD03426449;STK523134;2-[(1-pyrrolidinyl)methyl]piperidine;AKOS000189141;AKOS016341157;2-[(pyrrolidin-1-yl)methyl]piperidine;AB14968;FS-5163;BB 0220562;CS-0101841;FT-0656859;2-(1-Pyrrolidinylmethyl)piperidine, AldrichCPR;A800060;Q-102848

Chemical Property of 2-Pyrrolidin-1-ylmethyl-piperidine

Chemical Property:

• Vapor Pressure: 0.0336mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 243℃
• PKA: 10.46±0.20(Predicted)
• Flash Point: 93℃
• PSA: 15.27000
• Density: 0.956
• LogP: 1.49100
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.162648646
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)CN2CCCC2

Technology Process of 2-Pyrrolidin-1-ylmethyl-piperidine

There total 4 articles about 2-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: 71.0%

1-(2-piperidinylcarbonyl)pyrrolidine (130605-98-0) → 2-[(1-Pyrrolidinyl)methyl]piperidine (100158-63-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 30 ℃; for 3h;

DOI:10.1021/jm00105a061

Reference yield:

piperidine-2-carbonyl chloride (130606-00-7) → 2-[(1-Pyrrolidinyl)methyl]piperidine (100158-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / -5 °C

2: 71 percent / LiAlH₄ / tetrahydrofuran / 3 h / 30 °C

With lithium aluminium tetrahydride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00105a061

Reference yield:

(+/-)-[(N-ethoxycarbonyl)piperidine]-2-carboxylic acid (130497-14-2) → 2-[(1-Pyrrolidinyl)methyl]piperidine (100158-63-2)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / CH₂Cl₂ / 24 h / Ambient temperature

2: CH₂Cl₂ / -5 °C

3: 71 percent / LiAlH₄ / tetrahydrofuran / 3 h / 30 °C

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00105a061

upstream raw materials:

1-(2-piperidinylcarbonyl)pyrrolidine

piperidine-2-carbonyl chloride

(+/-)-[(N-ethoxycarbonyl)piperidine]-2-carboxylic acid

pipecolic Acid

Downstream raw materials:

1-(4-Bromophenylacetyl)-2-(1-pyrrolidinylmethyl)piperidine

2-(3-Nitro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone

2-(4-Hydroxy-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone

1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-trifluoromethyl-phenyl)-ethanone

Refernces

• 1、 Vecchietti,Giordani,Giardina,Colle,Clarke. "(2S)-1-(arylacetyl)-2-(aminomethyl)piperidine derivatives: Novel, highly selective κ opioid analgesics". . p. 397 - 403. Retrieved 2007/10/02.