1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)-

Base Information

• Chemical Name: 1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)-
• CAS No.: 149819-62-5
• Molecular Formula: C₉H₁₁N₅O₂S
• Molecular Weight: 253.285
• DSSTox Substance ID: DTXSID90164403
• Nikkaji Number: J558.748D
• Wikidata: Q83033484
• ChEMBL ID: CHEMBL88916

Synonyms:OxathiolanA-(-)-alpha;1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)-;149819-62-5;(-)-(2S,5S)-9-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)adenine;(-)-(2S,5S)-9-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]adenine;OxathiolanA-(-).a.;CHEMBL88916;DTXSID90164403;[(2S,5S)-5-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methanol;9-[(2S,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]9H-purin-6-amine

Chemical Property of 1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)-

Chemical Property:

• Vapor Pressure: 1.72E-15mmHg at 25°C
• Boiling Point: 605°Cat760mmHg
• Flash Point: 319.7°C
• Density: 1.91g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 253.06334578
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(S1)CO)N2C=NC3=C(N=CN=C32)N
• Isomeric SMILES: C1[C@H](O[C@@H](S1)CO)N2C=NC3=C(N=CN=C32)N

Technology Process of 1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)-

There total 16 articles about 1,3-Oxathiolane-2-methanol, 5-(6-amino-9H-purin-9-yl)-, (2S-trans)- 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: 75.0%

(-)-(2S,5S)-6-chloro-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>purine (149819-58-9) → (-)-(2S,5S)-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>adenine (145913-75-3,145986-36-3,149819-59-0,149819-62-5)

Guidance literature:

With ammonia; In methanol; at 90 ℃; for 24h;

DOI:10.1021/jm00070a006

Reference yield: 74.0%

(-)(2S,5R)-6-chloro-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>purine (149819-57-8) → (-)-(2S,5R)-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>adenine (145913-75-3,145986-36-3,149819-59-0,149819-62-5)

Guidance literature:

With ammonia; In methanol; at 90 ℃; for 24h;

DOI:10.1021/jm00070a006

Reference yield: 69.2%

(+)-(2R,5R)-6-chloro-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>purine (145986-34-1) → (+)-(2R,5R)-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>adenine (145913-75-3,145986-36-3,149819-59-0,149819-62-5)

Guidance literature:

With ammonia; In methanol; at 90 ℃; for 20h;

DOI:10.1021/jm00054a001

upstream raw materials:

(+)-(2R,5S)-6-chloro-9-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>purine

6-chloro-9-trimethylsilylpurine

(+)-(2R,5S)-6-chloro-9-<2-<<(tert-butyldiphenylsilyl)oxy>methyl>-1,3-oxathiolan-5-yl>purine

6-chloropurine

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