114152-21-5 Usage
Description
2,3,6-Trifluorophenylacetonitrile, with the molecular formula C8H4F3N, is a nitrile derivative of 2,3,6-trifluorophenylacetic acid. It is a white solid with a melting point of 61-62°C, sparingly soluble in water, and soluble in organic solvents. This chemical compound is known for its strong hydrogen bond accepting properties and can participate in various chemical reactions, such as nucleophilic addition and substitution. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals.
Uses
Used in Pharmaceutical Industry:
2,3,6-Trifluorophenylacetonitrile is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical properties, such as strong hydrogen bond accepting ability, make it a valuable component in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 2,3,6-trifluorophenylacetonitrile serves as an essential intermediate for the production of various agrochemicals. Its reactivity and ability to undergo chemical reactions contribute to the creation of effective pesticides and other agricultural chemicals.
Used in Chemical Research:
2,3,6-Trifluorophenylacetonitrile is also utilized in chemical research for studying its properties and potential applications. Its ability to participate in various chemical reactions makes it an interesting subject for scientific exploration and the development of new chemical processes.
Storage and Handling:
This chemical compound should be handled and stored in a cool, dry place and in a tightly sealed container to maintain its stability and prevent degradation. Proper safety measures should be taken during its handling to ensure the safety of the personnel and the environment.
Check Digit Verification of cas no
The CAS Registry Mumber 114152-21-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,1,5 and 2 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 114152-21:
(8*1)+(7*1)+(6*4)+(5*1)+(4*5)+(3*2)+(2*2)+(1*1)=75
75 % 10 = 5
So 114152-21-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
114152-21-5Relevant articles and documents
Structure-Based Design of an Iminoheterocyclic β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aβ in Nonhuman Primates
Mandal, Mihirbaran,Wu, Yusheng,Misiaszek, Jeffrey,Li, Guoqing,Buevich, Alexei,Caldwell, John P.,Liu, Xiaoxiang,Mazzola, Robert D.,Orth, Peter,Strickland, Corey,Voigt, Johannes,Wang, Hongwu,Zhu, Zhaoning,Chen, Xia,Grzelak, Michael,Hyde, Lynn A.,Kuvelkar, Reshma,Leach, Prescott T.,Terracina, Giuseppe,Zhang, Lili,Zhang, Qi,Michener, Maria S.,Smith, Brad,Cox, Kathleen,Grotz, Diane,Favreau, Leonard,Mitra, Kaushik,Kazakevich, Irina,McKittrick, Brian A.,Greenlee, William,Kennedy, Matthew E.,Parker, Eric M.,Cumming, Jared N.,Stamford, Andrew W.
, p. 3231 - 3248 (2016/05/19)
We describe successful efforts to optimize the in vivo profile and address off-target liabilities of a series of BACE1 inhibitors represented by 6 that embodies the recently validated fused pyrrolidine iminopyrimidinone scaffold. Employing structure-based design, truncation of the cyanophenyl group of 6 that binds in the S3 pocket of BACE1 followed by modification of the thienyl group in S1 was pursued. Optimization of the pyrimidine substituent that binds in the S2′-S2″ pocket of BACE1 remediated time-dependent CYP3A4 inhibition of earlier analogues in this series and imparted high BACE1 affinity. These efforts resulted in the discovery of difluorophenyl analogue 9 (MBi-4), which robustly lowered CSF and cortex Aβ40 in both rats and cynomolgus monkeys following a single oral dose. Compound 9 represents a unique molecular shape among BACE inhibitors reported to potently lower central Aβ in nonrodent preclinical species.
1-Cyclopropyl-6-fluoro-7-piperazinyl-1,4-Dihydro-4-oxo-quinoline-3-carboxylic acid derivatives
-
, (2008/06/13)
Novel 4-oxoquinoline-3-carboxylic acid compounds of the formula: STR1 wherein R2 is a heterocyclic group: STR2 in which RA is H, C1 -C6 alkyl or phenyl (C1 -C6) alkyl, RB is 2-ox
