172649-40-0 Usage
General Description
3-[(4S)-5-oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl]benzonitrile is a chemical compound with the molecular formula C20H16F3NO and a molecular weight of 345.34 g/mol. It belongs to the class of compounds known as benzonitriles, which are aromatic compounds containing a carbon-nitrogen triple bond attached to a benzene ring. This specific compound also contains a hexahydroquinoline moiety and a trifluoromethyl group, making it a potentially important structure for medicinal and pharmaceutical research. It has potential applications in drug design and development, given the presence of the hexahydroquinoline moiety, which is a common structural motif in many bioactive compounds. Its trifluoromethyl group also confers unique physicochemical properties to the molecule, making it a valuable building block for the synthesis of various pharmaceuticals and agrochemicals.
Check Digit Verification of cas no
The CAS Registry Mumber 172649-40-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,6,4 and 9 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 172649-40:
(8*1)+(7*7)+(6*2)+(5*6)+(4*4)+(3*9)+(2*4)+(1*0)=150
150 % 10 = 0
So 172649-40-0 is a valid CAS Registry Number.
InChI:InChI=1/C17H13F3N2O/c18-17(19,20)15-8-12(11-4-1-3-10(7-11)9-21)16-13(22-15)5-2-6-14(16)23/h1,3-4,7-8,12,22H,2,5-6H2/t12-/m0/s1
172649-40-0Relevant articles and documents
Alternative esters in the synthesis of ZD0947
Moseley, Jonathan D.
, p. 3179 - 3181 (2007/10/03)
Alternatives to the original iso-borneol and allyl esters were investigated in the synthesis of ZD0947 (1). Homologous allylic esters were prepared in higher yields and were more readily purified than for the existing route, but offered no further benefits later in the synthesis. However, the PNB-substituted ester series provided crystalline intermediates, higher yields and simplified isolations through-out, and utilised a heterogeneous hydrogenation, thus reducing the residual catalyst levels.
An asymmetric synthesis of a 4-substituted-1,4-dihydropyridine
Ashworth, Ian,Hopes, Phillip,Levin, Danny,Patel, Ian,Salloo, Rashida
, p. 4931 - 4933 (2007/10/03)
A concise, convergent asymmetric synthesis of the 4-substituted-1,4-dihydropyridine 1 [Ohnmacht, C. J., Jr.; Trainor, D. A.; Forst, J. M.; Stein, M. M.; Harris, R. J. Patent No. 5,622, 964] has been achieved via a novel asymmetric Michael addition of an o
Heterocyclic derivatives
-
, (2008/06/13)
Compounds of formula I STR1 wherein R2, R3, R4, R10 and R11 have any of the meanings given in the specification, and their pharmaceutically acceptable salts are useful in the treatment of urinery incontinence. Also disclosed are pharmaceutical compositions, processes for preparing the compounds of formula I and intermediates.
