N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
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![N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/77f512cb73ab4579938e8ea192ff7e5d.png "N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide")
N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
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CAS No:
289042-10-0
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Formula:
C28H29FN3O3PS
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Chemical Name:
N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
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Synonyms:
Methanesulfonamide,N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-;N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
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CAS No:
N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide Basic Attributes
537.59
537.59
608-289-0
DTXSID20433038
Safety Information
P261, P272, P280, P302+P352, P321, P333+P313, P363, P501
H317
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.
N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide Use and Manufacturing
Ethyl diphenyl phosphinite (12.6 g, 55 MMOL) is added, at 60°C and under argon, to a solution of the compound of formula (37) (15.2 g, 36.6 MMOL) IN toluene (370 ml). The reaction mixture is stirred at 60°C for 3 hours and then concentrated. The residue is dissolved in 10 ml of toluene, and 10 ml of hexane are added, the product precipitating out in the form of a colourless powder, which is filtered off. In that manner, 14.3 G (73 percent) of the phosphine oxide (38) can be obtained. aH NMR (300 MHz, CDCI3) : 1.22 (d, J = 6.7 Hz, 6H); 3.32-3. 45 (m, 1H); 3.41 (s, 3H); 3.47 (s, 3H); 3.89 (d, J = 12.9 Hz, 2H); 6.86 (dd, J = 8.7, 8.7 Hz, 2H); 7.09 (dd, J = 8.6, 5.3 Hz, 2H); 7.27-7. 45 (m, 10H). 13C NMR (75 MHz, CDCI3) : 22.1, 30.0 (JCP = 64.8 Hz), 33.1, 33.5, 42.7, 114.1 (Jcp = 8.2 Hz), 115.5 (JCF = 21.7 Hz), 128.8 (Jcp = 11. 8 Hz), 130.9 (Jcp = 9.3 Hz), 132.1 (JCF = 8.4 Hz), 132.1 (Jcp = 2.9 Hz), 133.3, 134.7 (Jcp = 2.3 Hz), 157.3 (Jcp = 2.3 Hz), 162.9 (JCF = 249 Hz), 166.3 (Jcp = 4.6 Hz). 3'P NMR (121 MHz, CD13) : 27.7.Preparation 5. [190] Diphenyl[2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine oxide [191] N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide (10.0 g), toluene (100.0 mL), and diphenyl(ethoxy)phosphorane (6.2 g) were added to a reactor. The reaction mixture was stirred at 90.similar.100°C for 9 hours and then water (80.0 mL) was added thereto. The separated organic layer was concentrated under reduced pressure. The resulting residue was purified with silica gel column chromatography (ethyl acetate/n-hexane =1:1) to obtain diphenyl[2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine oxide as a white solid (9.4 g, yield 73percent).[192]
An intermediate in the production of Rosuvastatin (R700500) derivatives.
Computed Properties
Molecular Weight:537.6
XLogP3:4.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:537.16512813
Monoisotopic Mass:537.16512813
Topological Polar Surface Area:88.6
Heavy Atom Count:37
Complexity:856
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-[5-[(Diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide
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