1-Methyl-4-[(2S)-pyrrolidin-2-ylmethyl]piperazine

Base Information

• Chemical Name: 1-Methyl-4-[(2S)-pyrrolidin-2-ylmethyl]piperazine
• CAS No.: 91790-92-0
• Molecular Formula: C₁₀H₂₁N₃
• Molecular Weight: 183.297
• DSSTox Substance ID: DTXSID40533963
• Nikkaji Number: J1.970.189A
• Wikidata: Q82407543
• Mol file: 91790-92-0.mol

Synonyms:1-METHYL-4-[(2S)-PYRROLIDIN-2-YLMETHYL]PIPERAZINE;91790-92-0;1-methyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine;(S)-1-Methyl-4-(pyrrolidin-2-ylmethyl)piperazine;1-Methyl-4-{[(2S)-pyrrolidin-2-yl]methyl}piperazine;SCHEMBL5336814;DTXSID40533963;RYMLMKVNJHMVEH-JTQLQIEISA-N;MFCD09723404;AKOS006330746;AKOS015949083;NS-01633;(S)-(+)-2-[(4-methyl-1-piperazinyl)methyl]pyrrolidine;(S)-(+)-2-[(4-methyl-1-piperazinyl) methyl]pyrrolidine

Chemical Property of 1-Methyl-4-[(2S)-pyrrolidin-2-ylmethyl]piperazine

Chemical Property:

• Boiling Point: 117 °C (8 mmHg)
• PKA: 11.18±0.10(Predicted)
• PSA: 18.51000
• Density: 0.980±0.06 g/cm3(Predicted)
• LogP: 0.19040
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.173547683
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2CCCN2
• Isomeric SMILES: CN1CCN(CC1)C[C@@H]2CCCN2

Technology Process of 1-Methyl-4-[(2S)-pyrrolidin-2-ylmethyl]piperazine

There total 11 articles about 1-Methyl-4-[(2S)-pyrrolidin-2-ylmethyl]piperazine 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: 93.0%

1-methyl-4-({(2S)-1-[(4-methylphenyl)sulfonyl]pyrolidin-2-yl}methyl)piperazine (869224-33-9) → (S)-2-<(4-methyl-1-piperazinyl)methyl>pyrrolidine (91790-92-0)

Guidance literature:

1-methyl-4-({(2S)-1-[(4-methylphenyl)sulfonyl]pyrolidin-2-yl}methyl)piperazine; With ammonia; lithium; In tetrahydrofuran; ethanol; at -78 ℃; for 2h; Heating / reflux;

With ammonia; water; at 20 ℃; pH=11;

Reference yield: 62.0%

(4-Methyl-piperazin-1-yl)-(S)-pyrrolidin-2-yl-methanone (100158-68-7,116818-82-7) → (S)-2-<(4-methyl-1-piperazinyl)methyl>pyrrolidine (91790-92-0)

Guidance literature:

(4-Methyl-piperazin-1-yl)-(S)-pyrrolidin-2-yl-methanone; With sodium tetrahydroborate; In tetrahydrofuran; at 0 ℃;

With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; Reflux;

DOI:10.1016/j.tetasy.2012.06.026

Reference yield:

C17H27N3 → (S)-2-<(4-methyl-1-piperazinyl)methyl>pyrrolidine (91790-92-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 80 ℃; under 7600.51 Torr;

DOI:10.1039/c4ra10684a

upstream raw materials:

(4-Methyl-piperazin-1-yl)-(S)-pyrrolidin-2-yl-methanone

1-methyl-piperazine

(S)-4-methyl-1-piperazine

N-Benzyloxycarbonyl-L-proline

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