6-(Propylthio)purine

Base Information

• Chemical Name: 6-(Propylthio)purine
• CAS No.: 6288-93-3
• Molecular Formula: C8H10 N4 S
• Molecular Weight: 194.26
• NSC Number: 11595
• UNII: QYX84RD9BL
• DSSTox Substance ID: DTXSID20212047
• Wikidata: Q83087080
• Mol file: 6288-93-3.mol

Synonyms:6-(Propylthio)purine;6288-93-3;Purine, 6-(propylthio)-;6-propylsulfanyl-7H-purine;6-Propyl-MP;6-n-Propylthiopurine;6-Propylmercaptopurine;QA 71;6-(Propylthio)-9H-purine;NSC 11595;1H-Purine, 6-(propylthio)-;QYX84RD9BL;6-(Propylthio)-7H-purine;AI3-50228;NSC-11595;6-propylthiopurine;Purine, 6-propylthio-;6-Propylthio-9H-purine;UNII-QYX84RD9BL;6-(propylsulfanyl)-1H-purine;SCHEMBL2118555;6-N-PROPYLMERCAPTOPURINE;DTXSID20212047;NSC11595;9H-PURINE, 6-(PROPYLTHIO)-;AKOS006275102;AKOS015857880;LS-127150;FT-0706346

Chemical Property of 6-(Propylthio)purine

Chemical Property:

• Vapor Pressure: 0.000805mmHg at 25°C
• Melting Point: 179 °C(Solv: water (7732-18-5))
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 315.5°C at 760 mmHg
• PKA: 8.10±0.20(Predicted)
• Flash Point: 144.6°C
• PSA: 79.76000
• Density: 1.42g/cm³
• LogP: 1.85500
• XLogP3: 1.6
• 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:

99% ^*data from raw suppliers

6-(propylsulfanyl)-9H-purine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCSC1=NC=NC2=C1NC=N2

Technology Process of 6-(Propylthio)purine

There total 4 articles about 6-(Propylthio)purine 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: 72.0%

propyl bromide (106-94-5) + 6-Mercaptopurine (157930-09-1,157930-10-4,157930-11-5,157930-13-7,157930-14-8) → 6-(propylthio)-9H-purine (6288-93-3)

Guidance literature:

With 1-butyl-3-methylimidazolium trifluoroacetate; at 60 ℃; for 24h;

DOI:10.1155/2014/353797

Reference yield: 61.0%

propyl bromide (106-94-5) + 6-Mercaptopurine (157930-09-1,157930-10-4,157930-11-5,157930-13-7,157930-14-8) → 6-n-propylthiopurine (6288-93-3)

Guidance literature:

6-Mercaptopurine; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

propyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1007/s00044-018-2275-9

Reference yield:

6H-purine-6-thione (50-44-2) + propyl bromide (106-94-5) → 6-n-propylthiopurine (6288-93-3)

Guidance literature:

With potassium carbonate; N,N-dimethyl-formamide;

DOI:10.1021/ja01556a026 DOI:10.1021/ja01600a075

upstream raw materials:

6H-purine-6-thione

propyl bromide

1-thiopropane

6-chloro-7H-purine

Downstream raw materials:

6-propylsulfonylpurine

purine

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