Dezaguanine

Base Information

• Chemical Name: Dezaguanine
• CAS No.: 41729-52-6
• Molecular Formula: C6H6N4O
• Molecular Weight: 150.138
• Hs Code.: 2933990090
• NSC Number: 261726
• UNII: 9DRB973HUI
• DSSTox Substance ID: DTXSID10194525
• Nikkaji Number: J23.291B
• Wikidata: Q27272408
• NCI Thesaurus Code: C968
• ChEMBL ID: CHEMBL31882
• Mol file: 41729-52-6.mol

Synonyms:3-deazaguanine

Chemical Property of Dezaguanine

Chemical Property:

• Vapor Pressure: 1.83E-20mmHg at 25°C
• Boiling Point: 718°Cat760mmHg
• Flash Point: 388°C
• PSA: 87.56000
• Density: 1.513g/cm³
• LogP: 0.41460
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.05416083
• Heavy Atom Count: 11
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

6-Amino-1H-imidazo[4,5-c]pyridin-4(5H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=O)C2=C1NC=N2)N

Technology Process of Dezaguanine

There total 2 articles about Dezaguanine 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: 80.0%

5-amino-6-hydrazino-1,5-dihydroimidazo<4,5-c>pyridin-4-one (91713-21-2) → 3-deazaguanine (41729-52-6)

Guidance literature:

With nickel; In water; for 1h; Heating;

DOI:10.1021/jm00377a002

Reference yield:

→ 3-deazaguanine (41729-52-6)

Guidance literature:

Imidazol 2 /NH3;

DOI:10.1021/ja00422a036

upstream raw materials:

5-amino-6-hydrazino-1,5-dihydroimidazo<4,5-c>pyridin-4-one

Refernces

• 1、 Revankar, Ganapathi R.,Gupta, Pranab K.,Adams, Alexander D.,Dalley, N. Kent,McKernan, Patricia A.,et al.. "Synthesis and Antiviral/Antitumor Activities of Certain 3-Deazaguanine Nucleosides and Nucleotides". . p. 1389 - 1396. Retrieved 2007/10/02.