9-(4-Thiopentofuranosyl)-9h-purin-6-amine

Base Information

• Chemical Name: 9-(4-Thiopentofuranosyl)-9h-purin-6-amine
• CAS No.: 2500-80-3
• Molecular Formula: C10H13 N5 O3 S
• Molecular Weight: 283.31
• NSC Number: 110342,109160,97111,82219,81154
• DSSTox Substance ID: DTXSID70933896
• Mol file: 2500-80-3.mol

Synonyms:15023-72-0;9-(4-thiopentofuranosyl)-9h-purin-6-amine;15023-77-5;DTXSID70933896;NSC81154;NSC82219;NSC97111;NSC-81154;NSC-82219;NSC-97111;NSC109160;NSC110342;NSC-109160;NSC-110342;15023-73-1;2500-79-0

Chemical Property of 9-(4-Thiopentofuranosyl)-9h-purin-6-amine

Chemical Property:

• Vapor Pressure: 3.38E-18mmHg at 25°C
• Melting Point: 125.4-126.3 °C
• Boiling Point: 657.8°Cat760mmHg
• PKA: 13.05±0.70(Predicted)
• Flash Point: 351.6°C
• PSA: 155.61000
• Density: 2.08g/cm³
• LogP: -0.68220
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 283.07391047
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(S3)CO)O)O)N

Technology Process of 9-(4-Thiopentofuranosyl)-9h-purin-6-amine

There total 18 articles about 9-(4-Thiopentofuranosyl)-9h-purin-6-amine 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: 90.0%

6-chloro-9-(4-thio-β-D-ribofuranos-1-yl)-9H-purine (25795-98-6) → (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol (2500-80-3,4303-00-8)

Guidance literature:

With ammonia; In methanol; at 100 ℃; for 24h;

DOI:10.3987/COM-07-11250

Reference yield: 83.0%

6-chloro-9-[2-O-(2,4-dimethoxybenzoyl)-4-thio-β-D-ribofuranosyl]-9H-purine (291758-31-1) → (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol (2500-80-3,4303-00-8)

Guidance literature:

With ammonia; In ethanol; at 100 ℃; for 24h;

DOI:10.1021/ja000541o

Reference yield: 70.0%

9-(2,3,5-tri-O-benzyl-4-thio-β-D-ribofuranosyl)-adenine (161424-53-9) → (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol (2500-80-3,4303-00-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 ℃; for 0.25h;

DOI:10.1080/15257779408013205

upstream raw materials:

9-(2,3,5-tri-O-benzyl-4-thio-β-D-ribofuranosyl)-adenine

adenine

1-O-acetyl-2,3,5-tri-O-benzyl-4-thio-α,β-D-ribofuranose

6-chloro-9-[2-O-(2,4-dimethoxybenzoyl)-4-thio-β-D-ribofuranosyl]-9H-purine