(S)-1-((1-methylpyrrolidin-2-yl)methyl)piperidine

Base Information

• Chemical Name: (S)-1-((1-methylpyrrolidin-2-yl)methyl)piperidine
• CAS No.: 84466-85-3
• Molecular Formula: C₁₁H₂₂N₂
• Molecular Weight: 182.309
• Hs Code.: 29339900
• European Community (EC) Number: 623-730-7
• DSSTox Substance ID: DTXSID50456139
• Nikkaji Number: J611.509H
• Wikidata: Q72495854
• Mol file: 84466-85-3.mol

Synonyms:84466-85-3;(S)-1-((1-methylpyrrolidin-2-yl)methyl)piperidine;1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine;Piperidine, 1-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-;1-{[(2S)-1-Methylpyrrolidin-2-yl]methyl}piperidine;(S)-1-[(1-Methyl-2-pyrrolidinyl)methyl]piperidine;SCHEMBL6079950;DTXSID50456139;MFCD00077821;AKOS015850694;CS-W017089;DS-3114;M1183;(2S)-1-Methyl-2alpha-(piperidinomethyl)pyrrolidine;(s)-1-methyl-2-[(piperidin-1-yl)-methyl] pyrrolidine;(S)-1-[(1-Methyl-2-pyrrolidinyl)methyl]piperidine, 97%

Chemical Property of (S)-1-((1-methylpyrrolidin-2-yl)methyl)piperidine

Chemical Property:

• Vapor Pressure: 0.048mmHg at 25°C
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 121-123 °C22 mm Hg(lit.)
• PKA: 10.39±0.40(Predicted)
• Flash Point: 220 °F
• PSA: 15.27000
• Density: 0.909 g/mL at 25 °C(lit.)
• LogP: 1.87950
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.178298710
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

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

(S)-(-)-1-Methyl-2-(1-Piperidinomethyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC1CN2CCCCC2
• Isomeric SMILES: CN1CCC[C@H]1CN2CCCCC2

Technology Process of (S)-1-((1-methylpyrrolidin-2-yl)methyl)piperidine

There total 4 articles about (S)-1-((1-methylpyrrolidin-2-yl)methyl)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: 70.0%

(S)-2-[(piperidin-1-yl)carbonyl]pyrrolidine-1-carbaldehyde → (S)-1-methyl-2-(piperidinomethyl)pyrrolidine (84466-85-3,155726-05-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1016/S0957-4166(02)00579-7

Reference yield:

(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (118916-60-2,97538-67-5) → (S)-1-methyl-2-(piperidinomethyl)pyrrolidine (84466-85-3,155726-05-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / ethanol / 0.17 h / 20 °C

2: 70 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran; ethanol;

DOI:10.1016/S0957-4166(02)00579-7

Reference yield:

L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → (S)-1-methyl-2-(piperidinomethyl)pyrrolidine (84466-85-3,155726-05-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / CHCl₃ / 3 h / Heating

2: 60 percent / ethanol / 0.17 h / 20 °C

3: 70 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran; ethanol; chloroform;

DOI:10.1016/S0957-4166(02)00579-7

upstream raw materials:

piperidine

1-(tert-butoxycarbonyl)-L-proline

(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one

L-proline

Refernces

• 1、 Mukaiyama, Teruaki,Iwasawa, Nobuharu,Stevens, Rodney W.,Haga, Toru. "SYNTHETIC CONTROL LEADING TO CHIRAL COMPOUNDS". . p. 1381 - 1390. Retrieved 2007/10/02.