95111-49-2 Usage
Description
2,3,5,6-TETRABROMO-4-METHYL-4-NITRO-2,5-CYCLOHEXADIEN-1-ONE is a yellow-beige to light brown fine crystalline powder that is used in the preparation of aryl and heteroaryl aminocarbonyl sulfonimidamides as NLRP3 modulators.
Uses
Used in Pharmaceutical Industry:
2,3,5,6-TETRABROMO-4-METHYL-4-NITRO-2,5-CYCLOHEXADIEN-1-ONE is used as a key intermediate in the synthesis of aryl and heteroaryl aminocarbonyl sulfonimidamides, which are NLRP3 modulators. These modulators have potential applications in the treatment of inflammatory and immune disorders by regulating the NLRP3 inflammasome pathway.
Check Digit Verification of cas no
The CAS Registry Mumber 95111-49-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,1,1 and 1 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 95111-49:
(7*9)+(6*5)+(5*1)+(4*1)+(3*1)+(2*4)+(1*9)=122
122 % 10 = 2
So 95111-49-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H3Br4NO3/c1-7(12(14)15)5(10)2(8)4(13)3(9)6(7)11/h1H3
95111-49-2Relevant articles and documents
Facile synthesis of 2,3,5,6-tetrabromo-4-methyl-nitrocyclohexa-2,5-dien-1- one, a mild nitration reagent
Arnatt, Christopher K.,Zhang, Yan
experimental part, p. 1592 - 1594 (2012/04/10)
Nitrocylcohexadienones have been applied as nitration reagents for mild, mono-nitrating reactions. The original synthesis of 2,3,5,6-tetrabromo-4-methyl- 4-nitrocylcohexa-2,5-dien-1-one appeared to be difficult to pursue due to both the solvent system and
Nitrocyclohexadienones : a new class of nitrating agents
Lemaire, Marc,Guy, Alain,Roussel, Jacques,Guette, Jean-paul
, p. 835 - 844 (2007/10/02)
Various nitrocyclohexadienones are proposed as new nitrating agents. These compounds are easy to prepare from corresponding phenols, easy to handle and stable. Nitrocyclohexadienones act as nitronium carriers using rearomatization as the driving force and permit nitration of highly activated substrates under mild conditions and with good yields.
