(R)-1-N-Boc-2-methylpiperazine

Base Information

• Chemical Name: (R)-1-N-Boc-2-methylpiperazine
• CAS No.: 170033-47-3
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 2933599090
• European Community (EC) Number: 640-907-4
• DSSTox Substance ID: DTXSID90437487
• Nikkaji Number: J674.085E
• Wikidata: Q72450022
• Mol file: 170033-47-3.mol

Synonyms:170033-47-3;(R)-1-N-Boc-2-methylpiperazine;(R)-1-Boc-2-Methylpiperazine;(R)-tert-butyl 2-methylpiperazine-1-carboxylate;(R)-1-BOC-2-METHYL-PIPERAZINE;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;(r)-n-boc-2-methylpiperazine;(R)-1-N-Boc-2-methyl piperazine;1-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-;MFCD01862120;(R)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester;(R)-1-boc-methylpiperazine;(R)-Boc-2-methylpiperazine;SCHEMBL103217;DTXSID90437487;DATRVIMZZZVHMP-MRVPVSSYSA-N;CS-B0412;AKOS005146156;AKOS005255162;AC-1205;PS-4832;(2R)-2-Methylpiperazine, N1-BOC protected;A3754;AM20090021;(R)-1-N-Boc-2-methylpiperazine, AldrichCPR;EN300-154298;tert-Butyl (2R)-methyl-1-piperazinecarboxylate;tert-butyl(2R)-2-methylpiperazine-1-carboxylate;W-205999;1,1-dimethylethyl (2R)-2-methyl-1-piperazinecarboxylate;1,1-dimethylethyl(2R)-2-methyl-1-piperazinecarboxylate;(2R)-2-Methyl-1-piperazinecarboxylic acid tert-butyl ester;(R)-2-Methylpiperazine-1-carboxylic acid tert-butyl ester;2-(R)-Methyl-piperazine-1-carboxylic acid tert-butyl ester;(R)-2-Methyl-1-piperazinecarboxylic Acid, 1,1-Dimethylethyl Ester

Chemical Property of (R)-1-N-Boc-2-methylpiperazine

Chemical Property:

• Melting Point: 34-36 °C
• Boiling Point: 268.7 °C at 760 mmHg
• PKA: 8.49±0.40(Predicted)
• Flash Point: 116.3 °C
• PSA: 41.57000
• Density: 0.997 g/cm³
• LogP: 1.48190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-Boc-2-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCCN1C(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H]1CNCCN1C(=O)OC(C)(C)C
• Uses: (R)-1-Boc-2-methylpiperazine is a reagent in the synthesis of potent and bioavailable inhibitors of Na+/H+ enxchanger type 3 used in the treatment of sleep apneas.

Technology Process of (R)-1-N-Boc-2-methylpiperazine

There total 11 articles about (R)-1-N-Boc-2-methylpiperazine 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: 86.0%

tert-Butyl (R)-2-methyl-4-(phenylmethyl)-1-piperazinecarboxylate (170033-58-6) → (R)-tert-butyl 2-methylpiperazine-1-carboxylate (170033-47-3)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; for 16h; under 1810.02 Torr; Ambient temperature;

DOI:10.1021/jo00118a039

Reference yield:

C18H26N2O4 (1217684-73-5) → (R)-tert-butyl 2-methylpiperazine-1-carboxylate (170033-47-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (R)-tert-butyl 2-methylpiperazine-1-carboxylate (170033-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / CH₂Cl₂ / 16 h / Ambient temperature

2: 86 percent / H₂ / Pd(OH)2 / ethanol / 16 h / 1810.02 Torr / Ambient temperature

With hydrogen; palladium dihydroxide; In ethanol; dichloromethane;

DOI:10.1021/jo00118a039

upstream raw materials:

tert-Butyl (R)-2-methyl-4-(phenylmethyl)-1-piperazinecarboxylate

di-tert-butyl dicarbonate

(R)-3-Methyl-1-(phenylmethyl)piperazine

(R)-2-(2-Chloro-acetylamino)-propionic acid methyl ester

Downstream raw materials:

(R)-tert-butyl 4-(N-hydroxycarbamimidoyl)-2-methylpiperazine-1-carboxylate

1,1-dimethylethyl (2R)-4-[(4-chlorophenyl)sulfonyl]-2-methyl-1-piperazinecarboxylate

1,1-dimethylethyl (2R)-4-[(4-bromo-2-methylphenyl)sulfonyl]-2-methyl-1-piperazinecarboxylate

C₄₈H₅₉FN₈O₅

Refernces

• 1、 -. "2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES". Page/Page column 134-135. . Retrieved 2008/06/13.
• 2、 -. "Use of imidazo?1,5-a!quinolones as neuroprotective agents". . . Retrieved 2008/06/13.