(2S,6S)-2,6-dimethylpiperazine

Base Information

• Chemical Name: (2S,6S)-2,6-dimethylpiperazine
• CAS No.: 402832-69-3
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• DSSTox Substance ID: DTXSID70428479
• Nikkaji Number: J674.084G
• Wikidata: Q72471466
• Mol file: 402832-69-3.mol

Synonyms:(2S,6S)-2,6-dimethylpiperazine;402832-69-3;SCHEMBL1005610;DTXSID70428479;IFNWESYYDINUHV-WDSKDSINSA-N;AKOS006288056;CS-0099931

Chemical Property of (2S,6S)-2,6-dimethylpiperazine

Chemical Property:

• Boiling Point: 161.1±8.0 °C(Predicted)
• PKA: 9.38±0.60(Predicted)
• PSA: 24.06000
• Density: 0.824±0.06 g/cm3(Predicted)
• LogP: 0.61380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

99%, ^*data from raw suppliers

(2S,6S)-2,6-Dimethylpiperazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCC(N1)C
• Isomeric SMILES: C[C@H]1CNC[C@@H](N1)C

Technology Process of (2S,6S)-2,6-dimethylpiperazine

There total 6 articles about (2S,6S)-2,6-dimethylpiperazine 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: 91.0%

(3R,5R)-3,5-Dimethyl-1-(phenylmethyl)piperazine (170211-03-7) → (2S,6S)-2,6-dimethyl-piperazine (402832-69-3)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In methanol; for 24h; under 1810.07 Torr;

Reference yield: 73.3%

→ (2S,6S)-2,6-dimethyl-piperazine (402832-69-3)

Guidance literature:

Reference yield: 63.0%

(β-hydroxy-isopropyl)-(2-hydroxy-propyl)-amine (115893-42-0) + bis(2-hydroxy-1-methylethyl)amine (2294-46-4) + diisopropanolamine (110-97-4,1335-54-2) → (2S,6S)-2,6-dimethyl-piperazine (402832-69-3) + cis-2,6-dimethylpiperazine (21655-48-1,1013625-96-1) + 2,5-dimethyl-piperazine (2815-34-1,1119702-25-8) + (+)-(2S,5S)-2,5-dimethylpiperazine (59573-44-3)

Guidance literature:

With hydrogen; cobalt; In ammonia; at 200 ℃; for 3h; under 22502.3 Torr;

upstream raw materials:

(3S,5S)-3,5-Dimethyl-1-(phenylmethyl)piperazine

(β-hydroxy-isopropyl)-(2-hydroxy-propyl)-amine

bis(2-hydroxy-1-methylethyl)amine

diisopropanolamine

Refernces

• 1、 -. "2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION". Page/Page column 85. . Retrieved 2010/11/30.
• 2、 Mickelson, John W.,Jacobsen, E. Jon. "Asymmetric Synthesis of (2R,6R) and (2S,6S)-2,6-Dimethylpiperazine". . p. 19 - 22. Retrieved 2007/10/02.