4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-beta-D-ribofuranosyl-

Base Information

• Chemical Name: 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-beta-D-ribofuranosyl-
• CAS No.: 2864-21-3
• Molecular Formula: C11H13 N3 O4 S
• Molecular Weight: 283.308
• NSC Number: 100278
• DSSTox Substance ID: DTXSID00394158
• Mol file: 2864-21-3.mol

Synonyms:2864-21-3;NSC100278;DTXSID00394158;NSC 100278;NSC-100278;7-pentofuranosyl-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione;7H-Pyrrolo[2,3-d]pyrimidine-4-thiol, 7-.beta.-D-ribofuranosyl-;4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-.beta.-D-ribofuranosyl-

Chemical Property of 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-beta-D-ribofuranosyl-

Chemical Property:

• Vapor Pressure: 4.78E-16mmHg at 25°C
• Boiling Point: 616.3°Cat760mmHg
• Flash Point: 326.5°C
• Density: 1.87g/cm³
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 283.06267708
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C2=C1C(=S)N=CN2)C3C(C(C(O3)CO)O)O

Technology Process of 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-beta-D-ribofuranosyl-

There total 3 articles about 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-7-beta-D-ribofuranosyl- 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: 85.0%

4-chloro-7-(β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidine (16754-80-6) → 7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-4(3H)-thione (2864-21-3)

Guidance literature:

With thiourea; In ethanol; for 3h; Reflux;

DOI:10.1021/jm800201s

Reference yield:

→ 7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-4(3H)-thione (2864-21-3)

Guidance literature:

entspr. 4-Hydroxy(III)-triacetat, 1. P4S10, 2. NaOCH3;

Reference yield:

→ 7-β-D-ribofuranosyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidine-4-thione (2864-21-3,5654-99-9,84366-70-1)

Guidance literature:

entspr. Amin;

upstream raw materials:

4-chloro-7-(β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidine

Downstream raw materials:

4-[(4-nitrobenzyl)thio]-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

4-[(2,4-difluorobenzyl)thio]-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

4-[(4-vinylbenzyl)thio]-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

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