3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

Base Information

• Chemical Name: 3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
• CAS No.: 50619-41-5
• Molecular Formula: C₁₀H₁₃ClN₆O₃
• Molecular Weight: 300.705
• NSC Number: 613817,138434
• DSSTox Substance ID: DTXSID40300713
• ChEMBL ID: CHEMBL21422
• Mol file: 50619-41-5.mol

Synonyms:50619-41-5;NSC138434;3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol;CHEMBL21422;DTXSID40300713;NSC613817;NSC-138434;NSC-613817

Chemical Property of 3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

Chemical Property:

• Vapor Pressure: 9.05E-19mmHg at 25°C
• Boiling Point: 668.3°Cat760mmHg
• Flash Point: 358°C
• Density: 2.21g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 300.0737660
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C1N2C3=C(C(=NC(=N3)N)Cl)N=N2)O)O)CO

Technology Process of 3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

There total 1 articles about 3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol 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:

→ 3-(5-amino-7-chloro-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-hydroxymethyl-cyclopentane-1,2-diol (50619-41-5,75829-38-8,108742-11-6,125073-28-1)

Guidance literature:

Chlor-diaminopyrimidin (V), NaNO2, Essigsaeure;

DOI:10.1002/jps.2600620907

Reference yield: 91.0%

2-amino-6-chloro-8-azapurine (50619-41-5,75829-38-8,108742-11-6,125073-28-1) → (1α,2α,3β,5β)-(+/-)-3-(5,7-diamino-3H-1,2,3-triazolo<4,5-d>pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol (88852-60-2)

Guidance literature:

With ammonia; at 60 ℃; for 18h;

DOI:10.1021/jm00371a020

Reference yield: 82.0%

methylthiol (74-93-1) + 2-amino-6-chloro-8-azapurine (50619-41-5,75829-38-8,108742-11-6,125073-28-1) → (1α,2α,3β,5β)-(+/-)-3-<5-amino-7-(methylthio)-3H-1,2,3-triazolo<4,5-d>pyrimidin-3-yl>-5-(hydroxymethyl)-1,2-cyclopentanediol (88801-90-5) + (1R,2S,3R,5R)-3-(5-Amino-7-methoxy-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-hydroxymethyl-cyclopentane-1,2-diol (108701-03-7)

Guidance literature:

With sodium methylate; In methanol; for 12h; Ambient temperature;

DOI:10.1021/jm00371a020

Downstream raw materials:

(1α,2α,3β,5β)-(+/-)-3-<5-amino-7-(methylthio)-3H-1,2,3-triazolo<4,5-d>pyrimidin-3-yl>-5-(hydroxymethyl)-1,2-cyclopentanediol

(1R,2S,3R,5R)-3-(5-Amino-7-methoxy-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-hydroxymethyl-cyclopentane-1,2-diol

(1α,2α,3β,5β)-(+/-)-3-(5,7-diamino-3H-1,2,3-triazolo<4,5-d>pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol

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