tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
• CAS No.: 245450-02-6
• Molecular Formula: C14H20 N6 O2
• Molecular Weight: 304.352
• DSSTox Substance ID: DTXSID40467032
• Wikidata: Q82293789
• Mol file: 245450-02-6.mol

Synonyms:245450-02-6;tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-{1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine-1-carboxylate;4-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester;SCHEMBL2272116;DTXSID40467032;PODFBDRFPZOWFK-UHFFFAOYSA-N;4-(4-tert-butoxycarbonylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine;AKOS015901663;Tert-butyl4-(1h-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate;A5043;CS-0272862;EN300-238662;F2167-0017;tert-Butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinecarboxylate;Tert-butyl 4-(2h-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate;4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-piperazin-1-carboxylic acid tert-butyl ester;4-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperazine-1-carboxylicacidtert-butylester;4-(4-pyrazolo[3,4-d]pyrimidinyl )-1-piperazinecarboxylic acid tert-butyl ester;4-(4-Pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester

Chemical Property of tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 498.1°Cat760mmHg
• Flash Point: 255.1°C
• PSA: 87.24000
• Density: 1.311g/cm³
• LogP: 1.41290
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 304.16477390
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

97% ^*data from raw suppliers

4-(1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00% ^*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)C2=NC=NC3=C2C=NN3

Technology Process of tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate

There total 5 articles about tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-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: 89.0%

4-chloro-1H-pyrazolo[3,4-d]pyrimidine (5399-92-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(1H-pyrazolo[3,4-d]pyrimidine-4-yl)piperazin-1-carboxylic acid tert-butyl ester (245450-02-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 90 ℃; for 4h;

Reference yield: 48.0%

→ 4-(1H-pyrazolo[3,4-d]pyrimidine-4-yl)piperazin-1-carboxylic acid tert-butyl ester (245450-02-6)

Guidance literature:

Reference yield: 2.0%

4-Aminopyrazolo<3,4-d>pyrimidin (2380-63-4) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(1H-pyrazolo[3,4-d]pyrimidine-4-yl)piperazin-1-carboxylic acid tert-butyl ester (245450-02-6)

Guidance literature:

4-Aminopyrazolo<3,4-d>pyrimidin; With 1,1-dibromomethane; isopentyl nitrite; for 6.5h; Heating;

1-t-Butoxycarbonylpiperazine; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm020505v

upstream raw materials:

4-Aminopyrazolo<3,4-d>pyrimidin

1-t-Butoxycarbonylpiperazine

4-aminopyrazolo[3,4-d]pyrimidine

isopentyl nitrite

Downstream raw materials:

1-(3-ethoxybenzyl)-4-(4-tert-butoxycarbonylpiperazin-1-yl)-1H-pyrazolo[3,4-d] pyrimidine