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

Base Information

• Chemical Name: 4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 6334-90-3
• Molecular Formula: C₈H₁₀N₄S
• Molecular Weight: 194.26
• NSC Number: 27626
• DSSTox Substance ID: DTXSID40282727
• Wikidata: Q82017076
• ChEMBL ID: CHEMBL248466

Synonyms:4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine;6334-90-3;NSC27626;MLS002639171;1H-Pyrazolo[3,4-d]pyrimidine,4-(propylthio)-;HMS3080C17;CHEMBL248466;DTXSID40282727;NSC-27626;SMR001548618

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

Chemical Property:

• Vapor Pressure: 6.58E-06mmHg at 25°C
• Boiling Point: 389°C at 760 mmHg
• Flash Point: 189.1°C
• Density: 1.33g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.06261751
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=NC=NC2=C1C=NN2

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

There total 2 articles about 4-propylsulfanyl-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:

4-Mercapto-1H-pyrazolo<3,4-d>pyrimidine (5334-23-6) + propyl bromide (106-94-5) → 4-propylmercapto-1(2)H-pyrazolo[3,4-d]pyrimidine (6334-90-3)

Guidance literature:

With DOWEX AG 1-X₈; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.12.066

Reference yield:

→ 4-propylmercapto-1(2)H-pyrazolo[3,4-d]pyrimidine (6334-90-3)

Guidance literature:

/BRN= 8925/;

DOI:10.1021/jo01084a632

Reference yield:

4-propylmercapto-1(2)H-pyrazolo[3,4-d]pyrimidine (6334-90-3) + benzyl bromide (100-39-0) → 1-benzyl-4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine + 2-benzyl-4-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine

Guidance literature:

With base; In N,N-dimethyl-formamide; for 16h; Heating;

DOI:10.1016/j.bmcl.2006.12.066

upstream raw materials:

4-Mercapto-1H-pyrazolo<3,4-d>pyrimidine

propyl bromide

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