(S)-4-N-Boc-2-methylpiperazine

Base Information

• Chemical Name: (S)-4-N-Boc-2-methylpiperazine
• CAS No.: 147081-29-6
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 29335990
• European Community (EC) Number: 628-826-2
• DSSTox Substance ID: DTXSID40427474
• Wikidata: Q72450031
• Mol file: 147081-29-6.mol

Synonyms:147081-29-6;(S)-4-N-Boc-2-methylpiperazine;(S)-4-N-Boc-2-methyl piperazine;(S)-4-Boc-2-methylpiperazine;(s)-tert-butyl 3-methylpiperazine-1-carboxylate;(S)-1-Boc-3-methylpiperazine;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;(s)-1-boc-3-methyl-piperazine;tert-Butyl (S)-3-methyl-1-piperazinecarboxylate;tert-butyl (S)-3-methylpiperazine-1-carboxylate;1-Piperazinecarboxylic acid, 3-methyl-, 1,1-dimethylethyl ester, (3S)-;(S)-tert-butyl-3-methylpiperazine-1-carboxylate;(s)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester;MFCD02683204;(s)-4-n-boc-2-methyl-piperazine;SCHEMBL16843;1-BOC-3-(S)-methylpiperazine;(s)-4-boc-2-methyl piperazine;4-boc-2-(s)-methyl-piperazine;2-(S)-methyl-4-Boc-piperazine;DTXSID40427474;FMLPQHJYUZTHQS-QMMMGPOBSA-N;(S)-2-methyl-4-N-BOC-piperazine;AKOS005258552;AC-2196;AC-2197;AM81349;CS-W008923;AS-37117;BP-11327;HY-40040;(s)-1-tert-butoxycarbonyl-3-methylpiperazine;2-(S)-methyl-4-(tertbutoxycabonyl)piperazine;tert-butyl (3S)-3-methylpiperazinecarboxylate;EN300-108382;(3S)-1-tert-butyloxycarbonyl-3-methylpiperazine;(5)-tert-butyl 3-methylpiperazine-1-carboxylate;(S)-4-(tert-butoxycarbonyl)-2-methylpiperazine;tert-butyl(3S)-3-methylpiperazine-1-carboxylate;(35)-tert-butyl-3-methylpiperazine-1-carboxylate;(3S)-tert-butyl 3-methylpiperazine-1-carboxylate;(3S)-tert-butyl-3-methylpiperazine-1-carboxylate;(S)-4-N-(tert-butoxycarbonyl)-2-methylpiperazine;tert-butyl (3S)-3-methyl-1-piperazinecarboxylate;tert-butyl-(3S)-3-methylpiperazine-1-carboxylate;W-205650;1,1-dimethylethyl (3S)-3-methyl-1-piperazinecarboxylate;1,1-dimethylethyl(3s)-3-methyl-1-piperazinecarboxylate;(3S)-3-Methylpiperazine-1-carboxylic acid tert-butyl ester;(S)-3-methylpiperazine-1-carboxylic acid tert-butyl ester;3-(s)-methyl-piperazine-1-carboxylic acid tert-butyl ester;(S)-3-methyl-piperazine-1-carboxylic acid, tert-butyl ester;(3s)-3-methyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester;3-Methyl-(3S)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester

Chemical Property of (S)-4-N-Boc-2-methylpiperazine

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 0.00755mmHg at 25°C
• Melting Point: 40-45 °C
• Refractive Index: 1.459
• Boiling Point: 268.7 °C at 760 mmHg
• PKA: 8.52±0.40(Predicted)
• Flash Point: 116.3 °C
• PSA: 41.57000
• Density: 0.997 g/cm³
• LogP: 1.48190
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• 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

(S)-4-Boc-2-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-34
• Safety Statements: 26-39-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C
• Isomeric SMILES: C[C@H]1CN(CCN1)C(=O)OC(C)(C)C
• Uses: Laboratory chemicals, Manufacture of substances. (S)-4-Boc-2-methylpiperazine is a reagent used in the synthesis of benzamide peptidomimetic as non-ATP competitive inihbitors. Reactant involved in the synthesis of biologically activy molecules including:CCR5 antagonists with anti-HIV-1 activityOpioid receptor antagonistsHuman growth hormone secretagogue receptor antagonists for treatment of obesityFatty acid oxidation inhibitors

Technology Process of (S)-4-N-Boc-2-methylpiperazine

There total 8 articles about (S)-4-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: 94.0%

(S)-2-methylpiperazine (74879-18-8) → (S)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester (147081-29-6)

Guidance literature:

Reference yield: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + (S)-2-methylpiperazine (74879-18-8) → (S)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester (147081-29-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 20 ℃; for 16h;

Reference yield:

(S)-2-methylpiperazine (74879-18-8) + (S)-(-)1-(t-butoxycarbonyl)-2-t-butyl-3-methyl-4-imidazolidinone (136086-22-1) → (S)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester (147081-29-6)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 15h;

upstream raw materials:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

(S)-2-methylpiperazine

N-(t-butoxycarbonyloxy)-phthalimide

(S)-(-)1-(t-butoxycarbonyl)-2-t-butyl-3-methyl-4-imidazolidinone

Downstream raw materials:

(S)-4-[(S)-1-(4-Methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

(S)-3-Methyl-4-[(R)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid tert-butyl ester

1-[4(trifluoromethyl)-α(S)-methylbenzyl]-2(S)-methyl-4-(tert-butoxycarbonyl)piperazine

(S)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazine-1-carboxylic acid tert-butyl ester