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AB58940

104206-65-7 | 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione

Packsize Purity Availability Price Discounted Price    Quantity
50mg 98% in stock $42.00 $29.00 -   +
250mg 98% in stock $47.00 $33.00 -   +
1g 98% in stock $86.00 $60.00 -   +
5g 98% in stock $273.00 $192.00 -   +
10g 98% in stock $438.00 $307.00 -   +
25g 98% in stock $1,041.00 $729.00 -   +

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Description
Catalog Number: AB58940
Chemical Name: 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
CAS Number: 104206-65-7
Molecular Formula: C14H10F3NO5
Molecular Weight: 329.2281
MDL Number: MFCD01752192
SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

 

Computed Properties
Complexity: 524  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 8  
Rotatable Bond Count: 2  
XLogP3: 2.3  

 

 

Upstream Synthesis Route 
  • Nitisinone, also known by its trade name Orfadin, is a potent inhibitor of the enzyme 4-hydroxyphenylpyruvate dioxygenase (HPPD). In chemical synthesis, Nitisinone plays a crucial role as a key building block for the production of various pharmaceuticals and agrochemicals. By inhibiting HPPD, it interferes with the tyrosine catabolic pathway, leading to an accumulation of tyrosine-derived metabolites that are essential for the synthesis of key compounds.One application of Nitisinone in chemical synthesis is its use as a precursor in the production of herbicides and pesticides. By blocking the enzymatic pathway in plants, Nitisinone-based compounds can effectively inhibit the growth of unwanted weeds and pests, making it a valuable tool in agricultural practices.Furthermore, Nitisinone is also utilized in the synthesis of pharmaceuticals targeting various metabolic disorders. By modulating the tyrosine metabolism through HPPD inhibition, researchers can develop innovative treatments for conditions such as hereditary tyrosinemia type 1 and other related diseases.Overall, the versatile application of Nitisinone in chemical synthesis showcases its importance as a foundational molecule in the creation of diverse compounds with significant agricultural and pharmaceutical implications.
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