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Monday 8 August 2016

Dolutegravir



Dolutegravir







Experimental:
 1H NMR (CDCl3) δ  12.45 (s, 1H), 10.38 (br s, 1H), 8.30 (s, 1H), 7.40-7.30 (m, 1H), 6.85-6.75 (m, 2H), 5.26 (d, J = 5.8, 4.1 Hz, 2H), 5.05-4.95 (m, 1H), 4.64 (d, J = 5.9 Hz, 2H), 4.27 (dd, J = 13.4, 4.2 Hz, 1H), 4.12 (dd, J = 13.6, 6.0 Hz, 1H), 4.05 (t, J = 2.3 Hz, 1H), 4.02 (d, J = 2.2 Hz, 1H), 2.30-2.19 (m, 1H), 1.56 (dd, J = 14.0, 2.0 Hz, 1H), 1.42 (d, J = 7.0 Hz, 3H).





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Herzeliya, ISRAEL
Map of Herzliya Israel
Herzliya
City in Israel
Herzliya is an affluent city in the central coast of Israel, at the Northern part of the Tel Aviv District known for its robust start-up and entrepreneurial culture. It has a population of more than 110,000 residents.Wikipedia























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Dolutegravir sodium

DOLUTEGRAVIR SODIUM.png

DOLUTEGRAVIR SODIUM; UNII-1Q1V9V5WYQ; Dolutegravir (sodium);  GSK1349572A; GSK 1349572A;  1051375-19-9


Molecular Formula:C20H18F2N3NaO5
Molecular Weight:441.360596 g/mol

sodium;(4R,12aS)-9-[(2,4-difluorophenyl)methylcarbamoyl]-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazin-7-olate


Sodium(4R,12aS)-9-{[(2,4-Difluorophenyl)methyl]carbamoyl}-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazol-7-olate (1)

Characterization data of 1
1H NMR (400 MHz, DMSO-d6) δ 10.6–10.7 (t, J = 6.0 Hz, 1H), 7.8 (s, 1H), 7.3 (dd, J = 8.4 and 7.2 Hz, 1H), 7.1–7.2 (m, 1H), 7.0 (t, J = 8.0 Hz, 1H), 5.1 (bs, 1H), 4.7–4.8 (m, 1H), 4.5 (d, J = 5.6 Hz, 2H), 4.2–4.3 (d, J = 11.2 Hz, 1H), 4.1 (m, 1H), 3.9 (m, 1H), 3.7–3.8 (m, 1H), 1.8 (m, 1H), 1.3 (d, J = 13.2 Hz, 1H), 1.2 (d, J = 6.8 Hz, 3H); 
13C NMR (400 MHz, DMSO-d6) δ 177.9, 167.0, 166.0, 161.0, 159.9, 160.0, 162.4, 162.5, 158.6, 158.8, 161.1, 161.2, 134.2, 130.4, 130.5, 122–8, 123.0, 114.8, 111.0, 111.3, 108.6, 103.3, 103.8, 75.5, 61.8, 53.1, 42.9, 35.3, 29.1, 15.3;
 IR (KBr, cm–1): 3165, 3072, 2974, 2941, 2873, 1643, 1539, 1504, 1101; 
ESI-MS m/z: 418.17.




/////////CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]

Methyl 5-(2,2-Dimethoxyethylcarbamoyl)-3-(benzyloxy)-1,4-dihydro-1-(2,2-dimethoxyethyl)-4-oxopyridine-2-carboxylate

Figure


Methyl 5-(2,2-Dimethoxyethylcarbamoyl)-3-(benzyloxy)-1,4-dihydro-1-(2,2-dimethoxyethyl)-4-oxopyridine-2-carboxylate (imp-2)


1H NMR (400 MHz, CDCl3) δ 10.1 (t, J = 5.2 Hz, 1H), 8.4 (s, 1H), 7.3–7.4 (m, 5H), 5.2 (s, 2H), 4.5(t, J = 5.2 Hz, 1H), 4.4 (t, J = 4.4 Hz, 1H), 4.0 (d, J = 4.4hz, 2H), 3.7 (s, 3H), 3.6 (t, J = 6.0 Hz, 2H), 3.4 (s, 6H), 3.3 (s, 6H) ; 
13C NMR (400 MHz, CDCl3) δ 173.2, 164.2, 162.1, 148.2, 144.4, 136.7, 134.8, 128.5, 128.3, 128.1, 119.3, 102.7, 102.4, 74.3, 56.8, 55.6, 53.9, 53.1, 40.8;
 IR (KBr, cm–1): 3201, 3045, 2949, 2835, 1734, 1662, 1610, 1548;
 ESI-MS m/z 479.26.




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SIDON, LEBANON
Map of Sidon Lebanon
Sidon
City in Lebanon
Sidon or Saïda is the third-largest city in Lebanon. It is located in the South Governorate of Lebanon, on the Mediterranean coast, about 40 kilometres north of Tyre and 40 km south of the capital, Beirut. Wikipedia























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