Pteridine

Base Information

• Chemical Name: Pteridine
• CAS No.: 91-18-9
• Molecular Formula: C6H4 N4
• Molecular Weight: 132.125
• Hs Code.: 2933990090
• NSC Number: 268562
• UNII: 6EZF26XQ81
• DSSTox Substance ID: DTXSID60238347
• Nikkaji Number: J100.476J
• Wikipedia: Pteridine
• Wikidata: Q414021
• Metabolomics Workbench ID: 51384
• Mol file: 91-18-9.mol

Synonyms:Pteridine;Pteridines;Pteridinone;Pteridinones;Pyrazinopyrimidine;Pyrazinopyrimidines

Chemical Property of Pteridine

Chemical Property:

• Vapor Pressure: 0.0154mmHg at 25°C
• Melting Point: 138-138.5°
• Refractive Index: 1.7000 (estimate)
• Boiling Point: 265°C at 760 mmHg
• PKA: 4.05(at 20℃)
• Flash Point: 124.7°C
• PSA: 51.56000
• Density: 1.369g/cm³
• LogP: 0.41980
• Water Solubility.: 122g/L(22.5 oC)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 132.043596145
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

Pteridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C=NC=N2

Technology Process of Pteridine

There total 9 articles about Pteridine 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: 82.0%

2-Aminopyrazine (5049-61-6) + formamide (77287-34-4,77287-35-5,60100-09-6) → pteridine (91-18-9)

Guidance literature:

With phosphorus tribromide; at 50 - 60 ℃; Inert atmosphere;

DOI:10.1021/jo301463m

Reference yield:

1,1-Dichloroacetone (513-88-2) + 2,4,5,6-tetraaminopyrimidine sulfate (5392-28-9,49647-58-7) → pteridine (91-18-9) + 2,4-diamino-6-methylpteridine (708-74-7)

Guidance literature:

With sodium hydroxide; sodium hydrogensulfite; In water;

Reference yield:

4,5-pyrimidinediamine (13754-19-3) → pteridine (91-18-9)

Guidance literature:

With ethanol;

upstream raw materials:

4-Hydroxy-3,4-dihydro-pteridin

5,6,7,8-tetrahydro-pteridine-6,7-diol

C₆H₄⁽²⁾H₂N₄O

4,5-pyrimidinediamine

Downstream raw materials:

pteridin-4-one

tetrahydropteridine

4-Hydroxy-3,4-dihydro-pteridin

5,6,7,8-tetrahydro-pteridine-6,7-diol

Refernces

• 1、 Davis, Kenneth R.,Wolfenden, Richard. "Solvent Isotope Effects on Equilibria of Mono- and Dihydration of Neutral Pteridine". . p. 2280 - 2281. Retrieved 2007/10/02.