Tert-butyl 3-methylpiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-methylpiperazine-1-carboxylate
• CAS No.: 120737-59-9
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 29335990
• European Community (EC) Number: 672-493-6
• DSSTox Substance ID: DTXSID10373555
• Mol file: 120737-59-9.mol

Synonyms:120737-59-9;Tert-butyl 3-methylpiperazine-1-carboxylate;4-n-boc-2-methyl-piperazine;1-boc-3-methylpiperazine;4-N-Boc-2-methylpiperazine;1-boc-3-methyl-piperazine;3-methyl-piperazine-1-carboxylic acid tert-butyl ester;MFCD03001706;3-methylpiperazine-1-carboxylic acid tert-butyl ester;1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER;tert-Butyl 3-methyl-1-piperazinecarboxylate;(R)-4-N-Boc-2-methylpiperazine;4-boc-2-methyl-piperazine;N-Boc-3-Methyl-Piperazine;N-1-Boc-3-methyl piperizine;MFCD02683204;MFCD02683205;n-1-boc-3-methylpiperazine;SCHEMBL16018;(3s)-1-boc-3-methylpiperazine;DTXSID10373555;FMLPQHJYUZTHQS-UHFFFAOYSA-N;BCP06145;CS-D0651;1-t-butoxycarbonyl-3-methylpiperazine;2-methylpiperazine, n4-boc protected;AKOS005255319;2-methyl-4tert-butoxycarbonylpiperazine;AB12466;AB12467;AB12865;AC-2198;PS-3848;1-tert-butoxycarbonyl-3-methylpiperazine;t-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-methylpiperazine-carboxylate;tert-Butyl-3-methylpiperazine carboxylate;SY002666;SY007920;SY018030;4-N-Boc-2-methyl-piperazine, AldrichCPR;1-(tert-butoxycarbonyl)-3-methylpiperazine;tert-butyl-3-methylpiperazine-1-carboxylate;AM20080151;FT-0600980;FT-0601728;FT-0601729;tert.butyl 3-methyl-piperazine-1-carboxylate;EN300-57163;(+/-)-tert-Butyl 3-methylpiperazine-1-carboxylate;(1,1-dimethylethyl)3-methyl-1-piperazinecarboxylate;racemic tert-butyl 3-methylpiperazine-1-carboxylate;W-205097;(1,1-dimethylethyl) 3-methyl-1-piperazinecarboxylate;(1,1-dimethylethyl)-3-methyl-1-piperazinecarboxylate;F0001-0339;Z872809268;rac-3-methyl-piperazine-1-carboxylic acid tert-butyl ester;3-Methyl-piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl 3-methylpiperazine-1-carboxylate

Chemical Property of Tert-butyl 3-methylpiperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00755mmHg at 25°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.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform, DMSO, Ethyl Acetate
• 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

4-N-Boc-2-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 36/37/38-50
• Safety Statements: 26-36/37/39-61-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C
• Uses: 4-N-Boc-2-methylpiperazine is a boc protetcted piperazine derivative used in the preparation of prazosin-related compounds with blocking activity toward α-adrenoreceptors.

Technology Process of Tert-butyl 3-methylpiperazine-1-carboxylate

There total 8 articles about Tert-butyl 3-methylpiperazine-1-carboxylate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + (RS)-2-methylpiperazine (109-07-9) → 3-methyl-piperazine-1-carboxylic acid tert-butyl ester (120737-59-9)

Guidance literature:

In dichloromethane;

Reference yield: 93.0%

(RS)-2-methylpiperazine (109-07-9) + di-tert-butyl dicarbonate (55130-19-3) → 3-methyl-piperazine-1-carboxylic acid tert-butyl ester (120737-59-9)

Guidance literature:

In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.14233/ajchem.2014.15572

Reference yield: 90.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + (RS)-2-methylpiperazine (109-07-9) → 3-methyl-piperazine-1-carboxylic acid tert-butyl ester (120737-59-9)

Guidance literature:

With triethylamine; In chloroform; for 15h;

DOI:10.1021/jm00058a005

upstream raw materials:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

(RS)-2-methylpiperazine

di-tert-butyl dicarbonate

tert-butyldicarbonate

Downstream raw materials:

4-(2-fluoro-4-nitro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

4-[2-fluoro-4-(5-hydroxymethyl-2-oxo-oxazolidin-3-yl)-phenyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

4-(4-benzyloxycarbonylamino-2-fluoro-phenyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

4-[4-(5-azidomethyl-2-oxo-oxazolidin-3-yl)-2-fluoro-phenyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Mazzotta, Sarah,Marrugal-Lorenzo, José Antonio,Vega-Holm, Margarita,Serna-Gallego, Ana,álvarez-Vidal, Jaime,Berastegui-Cabrera, Judith,Pérez del Palacio, José,Díaz, Caridad,Aiello, Francesca,Pachón, Jerónimo,Iglesias-Guerra, Fernando,Vega-Pérez, José Manuel,Sánchez-Céspedes, Javier. "Optimization of piperazine-derived ureas privileged structures for effective –antiadenovirus agents". . . Retrieved 2020.
• 2、 -. "PARP inhibitor containing phthalazine-1 -(2H)-ketone structure as well as preparation method and medical application of PARP inhibitor". Paragraph 0032; 0034-0035. . Retrieved 2021/02/20.
• 3、 -. "PIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS WITH INCREASED THERAPEUTIC ACTIVITY". Page/Page column 21. . Retrieved 2017/09/15.