4-Bromo-1H-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 4-Bromo-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 30129-51-2
• Molecular Formula: C₅H₃BrN₄
• Molecular Weight: 199.01
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40509648
• Wikidata: Q82367388
• Mol file: 30129-51-2.mol

Synonyms:4-Bromo-1H-pyrazolo[3,4-d]pyrimidine;30129-51-2;4-bromopyrazolo[3,4-d]pyrimidine;4-BROMO-2H-PYRAZOLO[3,4-D]PYRIMIDINE;DTXSID40509648;MFCD11040189;AKOS005266566;PB20524;AS-34158;CS-0051012;FT-0647836;J-514552

Chemical Property of 4-Bromo-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• Vapor Pressure: 1.97E-05mmHg at 25°C
• Refractive Index: 1.767
• Boiling Point: 373.1 °C at 760 mmHg
• Flash Point: 179.5 °C
• PSA: 54.46000
• Density: 2.036 g/cm³
• LogP: 1.11540
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.95411
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1H-pyrazolo[3,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC2=C1C(=NC=N2)Br

Technology Process of 4-Bromo-1H-pyrazolo[3,4-d]pyrimidine

There total 2 articles about 4-Bromo-1H-pyrazolo[3,4-d]pyrimidine 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: 40.0%

4-Aminopyrazolo<3,4-d>pyrimidin (2380-63-4) → 4-bromopyrazolo<3,4-d>pyrimidine (30129-51-2)

Guidance literature:

With hydrogen bromide; bromine; sodium nitrite; In water; at 0 ℃; for 2h;

DOI:10.1007/BF00568958

Reference yield:

→ 4-bromopyrazolo<3,4-d>pyrimidine (30129-51-2)

Guidance literature:

4,6-Dibrom-5-formylpyrimidin, Hydrazin;

Reference yield: 30.0%

4-bromopyrazolo<3,4-d>pyrimidine (30129-51-2) + (3R,5S)-5-acetoxy-2-benzyl-3-[(2S,4R,5R)-5-(tert-butyldimethylsiloxy)-2-methyl-1,3-dioxan-4-yl]isoxazolidine (1035422-90-2) → 1-{(3R,5R)-2-benzyl-3-[(2S,4R,5R)-5-(tert-butyldimethylsiloxy)-2-methyl-1,3-dioxan-4-yl]isoxazolidin-5-yl}-4-bromopurine + 1-{(3R,5S)-2-benzyl-3-[(2S,4R,5R)-5-(tert-butyldimethylsiloxy)-2-methyl-1,3-dioxan-4-yl]isoxazolidin-5-yl}-4-bromopurine

Guidance literature:

4-bromopyrazolo<3,4-d>pyrimidine; With N,O-bis-(trimethylsilyl)-acetamide; In dichloromethane; for 0.333333h; Heating;

(3R,5S)-5-acetoxy-2-benzyl-3-[(2S,4R,5R)-5-(tert-butyldimethylsiloxy)-2-methyl-1,3-dioxan-4-yl]isoxazolidine; With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 2h; Further stages.;

DOI:10.1055/s-2008-1042942

upstream raw materials:

4-Aminopyrazolo<3,4-d>pyrimidin