1,4-di-Boc-piperazine-2-carboxylic acid

Base Information

• Chemical Name: 1,4-di-Boc-piperazine-2-carboxylic acid
• CAS No.: 181955-79-3
• Molecular Formula: C15H26N2O6
• Molecular Weight: 330.381
• Hs Code.: 29335990
• European Community (EC) Number: 694-485-1
• Nikkaji Number: J2.438.935I
• Mol file: 181955-79-3.mol

Synonyms:181955-79-3;1,4-di-Boc-piperazine-2-carboxylic acid;1,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid;1,4-Bis(N-Boc)piperazine-2-carboxylic acid;1-N-Boc-4-N-Boc-Piperazine-2-carboxylic acid;1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic Acid;MFCD02179115;MFCD02179096;1,4-bis[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid;1,4-BIS-BOC-PIPERAZINE-2-CARBOXYLIC ACID;1,4-Di-Boc-piperazine-2-carboxylicacid;SCHEMBL22227;(2S)-1,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid;IIZGWFQKLVCLLA-UHFFFAOYSA-N;AKOS015836556;AB11019;AC-1804;CS-W008592;PB48130;SB48374;N,N'-diboc-piperazine-2-carboxylic acid;DS-15490;SY020479;SY020480;SY258754;1,4-Bis(Boc)-2-piperazinecarboxylic Acid;1,4-Bis(Boc)piperazine-2-carboxylic acid;A4027;FT-0653912;FT-0655582;FT-0740612;EN300-75788;(R)-1,4-Bis(Boc)-2-piperazinecarboxylic Acid;(S)-1,4-Bis(Boc)piperazine-2-carboxylic Acid;(S)-1,4-N-Diboc-2-piperazine-2-carboxylicacid;1,4-Di-Boc-piperazine-2-carboxylic acid, 97%;1 pound not4-Di-Boc-piperazine-2-carboxylic acid;1,4-BIS(N-BOC)PIPERAZINE-2-CARBOXYLICACID;A839521;Q-102274;1,4-bis(tert-butoxycarbonyl)-2-piperazinecarboxylic acid;1,4-Di(tert-butoxycarbonyl)piperazine-2-carboxylic acid;Z1184855830;1,4-Bis(tert-butoxycarbonyl)-piperazine-2-carboxylic Acid;N,N'-Di-tert-butyloxycarbonylpiperazine-2-carboxylic acid;PIPERAZINE-1,2,4-TRICARBOXYLIC ACID 1,4-DI-TERT-BUTYL ESTER;1,4-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid;1,4-bis{[(1,1-dimethylethyl)oxy]carbonyl}-2-piperazinecarboxylic acid;(+/-)-1,4-bis{[(1,1-dimethylethyl)oxy]carbonyl}-2-piperazinecarboxylic acid;1,4-Di-Boc-piperazine-2-carboxylic acid

Chemical Property of 1,4-di-Boc-piperazine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.05E-09mmHg at 25°C
• Melting Point: 142-148°C
• Refractive Index: 1.502
• Boiling Point: 443.888 °C at 760 mmHg
• Flash Point: 222.256 °C
• PSA: 96.38000
• Density: 1.201 g/cm³
• LogP: 1.80320
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 330.17908655
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

99% ^*data from raw suppliers

1,4-Di-Boc-piperazine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C

Technology Process of 1,4-di-Boc-piperazine-2-carboxylic acid

There total 6 articles about 1,4-di-Boc-piperazine-2-carboxylic acid 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%

piperazine-2-carboxylic acid (2762-32-5) + di-tert-butyl dicarbonate (24424-99-5) → N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid (181955-79-3)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; water; at 25 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acsmedchemlett.0c00080

Reference yield: 98.76%

di-tert-butyl dicarbonate (24424-99-5) + piperazine-2-carboxylic acid dihydrochloride (3022-15-9,126330-90-3,133525-05-0,135841-26-8) → N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid (181955-79-3)

Guidance literature:

di-tert-butyl dicarbonate; piperazine-2-carboxylic acid dihydrochloride; With sodium hydroxide; In 1,4-dioxane; water; at 0 - 25 ℃; for 3.5h;

With hydrogenchloride; In 1,4-dioxane; water; pH=6 - 7;

Reference yield: 92.0%

CH2 Cl2:MeOH + di-tert-butyl dicarbonate (24424-99-5) + piperazine-2-carboxylic acid dihydrochloride (3022-15-9,126330-90-3,133525-05-0,135841-26-8) + sodium carbonate (497-19-8) → N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid (181955-79-3)

Guidance literature:

With acetic acid; In 1,4-dioxane; water;

upstream raw materials:

piperazine-2-carboxylic acid

di-tert-butyl dicarbonate

piperazine-2-carboxylic acid dihydrochloride

O₁,O₄-di-tert-butyl O₂-methyl piperazine-1,2,4-tricarboxylate

Downstream raw materials:

2-carbamoylpiperazine-1,4-dicarboxylic acid di-tert-butyl ester

di-tert-butyl 2-{[(2,6-dimethylphenyl)amino]carbonyl}piperazine-1,4-dicarboxylate

O₁,O₄-di-tert-butyl O₂-methyl piperazine-1,2,4-tricarboxylate

C₂₃H₂₉N₃O₅

Refernces

• 1、 Dolbois, Aymeric,Batiste, Laurent,Wiedmer, Lars,Dong, Jing,Brütsch, Manuela,Huang, Danzhi,Deerain, Nicholas M.,Spiliotopoulos, Dimitrios,Cheng-Sánchez, Iván,Laul, Eleen,Nevado, Cristina,?led?, Pawe?,Caflisch, Amedeo. "Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers". supporting information. p. 1573 - 1580. Retrieved 2020/09/16.
• 2、 -. "Piperazine compound and application thereof in preparation of chemokine receptor CCR2 antagonist". Paragraph 0180-0184. . Retrieved 2020/07/28.