7-Deazanebularin

Base Information

• Chemical Name: 7-Deazanebularin
• CAS No.: 16754-83-9
• Molecular Formula: C₁₁H₁₃N₃O₄
• Molecular Weight: 251.242
• NSC Number: 107519
• DSSTox Substance ID: DTXSID00937347
• Mol file: 16754-83-9.mol

Synonyms:7 deazanebularin;7-beta-D-ribofuranosyl-7H-pyrrolo-(2,3-d)pyrimidine;7-deazanebularin;pyrrolo(4,3-d)-pyrimidine-3-beta-D ribofuranoside

Chemical Property of 7-Deazanebularin

Chemical Property:

• Vapor Pressure: 1.08E-13mmHg at 25°C
• Boiling Point: 567°Cat760mmHg
• PKA: 12.46±0.70(Predicted)
• Flash Point: 296.7°C
• PSA: 100.63000
• Density: 1.75g/cm³
• LogP: -0.95720
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 251.09060590
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C2=NC=NC=C21)C3C(C(C(O3)CO)O)O

Technology Process of 7-Deazanebularin

There total 10 articles about 7-Deazanebularin 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: 84.0%

(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diyl dibenzoate (29914-75-8) → 7-Deazanebularin (16754-83-9)

Guidance literature:

With methanol; 10 wt% Pd(OH)2 on carbon; hydrogen; potassium carbonate; at 20 ℃; for 2h;

DOI:10.1002/cmdc.202100144

Reference yield: 72.0%

tri-O-acetyl-1-pyrrolo[2,3-d]pyrimidin-7-yl-β-D-1-deoxy-ribofuranose (57024-71-2) → 7-Deazanebularin (16754-83-9)

Guidance literature:

With ammonia; In ethanol; for 48h; Ambient temperature;

DOI:10.1055/s-1984-30851

Reference yield: 69.0%

7-(2,3,5-Tri-O-benzyl-β-D-arabinofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin (87791-35-3) → 7-(β-D-Arabinofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin (16754-83-9,27968-95-2,84278-71-7)

Guidance literature:

With methanol; ammonium hydroxide; boron trichloride; In dichloromethane; 1.) -18 degC, 1h 2.) 30 min.;

upstream raw materials:

tri-O-acetyl-1-pyrrolo[2,3-d]pyrimidin-7-yl-β-D-1-deoxy-ribofuranose

tubercidin

2',3',5'-tri-O-acetyltubercidin

(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diyl dibenzoate

Downstream raw materials:

5-iodo-N7-(β-D–ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

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