Tert-butyl 4-cyanopiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-cyanopiperazine-1-carboxylate
• CAS No.: 113534-02-4
• Molecular Formula: C10H17N3O2
• Molecular Weight: 211.26
• European Community (EC) Number: 824-662-2
• DSSTox Substance ID: DTXSID70555370
• Wikidata: Q72502773
• Mol file: 113534-02-4.mol

Synonyms:tert-butyl 4-cyanopiperazine-1-carboxylate;113534-02-4;1-Piperazinecarboxylic acid, 4-cyano-, 1,1-dimethylethyl ester;4-Cyanopiperazine-1-Carboxylic Acid Tert-Butyl Ester;tert-butyl4-cyanopiperazine-1-carboxylate;1-Boc-4-cyanopiperazine;SCHEMBL386895;DTXSID70555370;GDPSCFYDXPEIEE-UHFFFAOYSA-N;MFCD09029184;ZB0366;AKOS015918882;t-Butyl 4-cyanopiperazine-1-carboxylate;AS-71364;tert-butyl 4-cyanopiperazin-1-carboxylate;CS-0217872;EN300-91723;W17549;1,1-dimethylethyl 4-cyanopiperazine-1-carboxylate;A894350;4-Cyano-piperazine-1-carboxylic acid tert-butyl ester;Z1262398322

Chemical Property of Tert-butyl 4-cyanopiperazine-1-carboxylate

Chemical Property:

• Boiling Point: 353.989 °C at 760 mmHg
• PKA: -0.90±0.70(Predicted)
• Flash Point: 167.887 °C
• PSA: 56.57000
• Density: 1.136 g/cm³
• LogP: 0.89598
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.132076794
• Heavy Atom Count: 15
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-Cyanopiperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C#N

Technology Process of Tert-butyl 4-cyanopiperazine-1-carboxylate

There total 9 articles about Tert-butyl 4-cyanopiperazine-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%

bromocyane (506-68-3) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-cyano-piperazine-1-carboxylic acid tert-butyl ester (113534-02-4)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 1h;

Reference yield: 95.4%

cyanogen bromide + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-cyano-piperazine-1-carboxylic acid tert-butyl ester (113534-02-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 20 ℃;

DOI:10.1016/j.ejmech.2019.112017

Reference yield: 82.0%

3-oxo-1λ3-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile (172876-96-9) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-cyano-piperazine-1-carboxylic acid tert-butyl ester (113534-02-4)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

DOI:10.1002/chem.202102354

upstream raw materials:

di-tert-butyl dicarbonate

1-cyanopiperazine

bromocyane

1-t-Butoxycarbonylpiperazine

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