It07:Cyameluric Acid

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It07:Cyameluric Acid
General
Systematic name 1,3,4,6,7,9,9b-heptaaza-phenalene-2,5,8-triol
Other names 1(9)H,3(4)H,6(7)H-1,3,4,6,7,9,9b-heptaaza-phenalene-2,5,8-trione
Molecular formula C6H3N7O3
SMILES OC3=NC1=[N]2C(N=C(O)N=C2=N3)=NC(O)=N1
Molar mass 221.13
CAS number 1502-46-1
Properties
Density & phase 0.935g/cm³

Structure of Cyameluric Acid

Cyameluric acid Sachin.gif[1] There are in fact 17 tautomeric forms in total of this substance. The structure shown is the most stable tautomer (the Trioxo 2,5,8 form). Cyameluricacid is commonly drawn as its less stable tautomerTri-OH cyameluric acid Sachin.gif

3D Model of Cyameluric Acid

Sibutramine


Synthesis

The following diagram shows a possible synthesis for the the Trioxo 2,5,8 tautomer of cyameluric acid4:

Synthesis cyameluric acid.gif

History and Origin

A derivative of Cyameluric acid was the last molecule to be worked on by Linus Pauling before he died death in 1994. The structure of a Cyameluric acid with a hydroxy group replaced by an azide was found on his chalkboard after his deathPaulingmolecule.gif[2]

Pauling et al first postulated the existence of a cyamleuric nucleas in 1937. In 1940 Redeman and Lucas made several attempts to prepare cyameluric esters and amides and in the 1960's and 1970's cyameluric salts and other s-heptazine derivatives such as melem (C6N7(NH2)3) were investigated by Finkelstein.3

Linus Pauling

Linus Pauling originated from Portland, Oregon, USA, remaining there to complete a BSC in Chemical Engineering in 1922. He received his PhD in Chemistry in 1925 and was appointed Teaching Fellow in Chemistry at California Institute of Technology.

Over his long career, Pauling's interests have been many and varied. Early on he was interested in molecular spatial configurations, winning the Nobel Prize for chemistry in 1954 for "his research into the nature of the chemical bond and its application to the elucidation of the structure of complex substances"Cite error: Closing </ref> missing for <ref> tag
  1. E Horvath-Bordon et Al, Alkalicyamelurates, M3[C6N7O3].H2O, M=Li, K, Na, Rb, Cs: UV-Luminescent and thermally very stable ionic tri-s-triazine derivatives http://pubs.rsc.org/ej/DT/2004/b412517g/
  2. Theoretical study of cyameluric acid and related compounds http://www.arkat-usa.org/?VIEW=MANUSCRIPT&MSID=917