DR ANTHONY MELVIN CRASTO,WorldDrugTracker, helping millions, A 90 % paralysed man in action for you, I am suffering from transverse mylitis and bound to a wheel chair, With death on the horizon, nothing will not stop me except God................DR ANTHONY MELVIN CRASTO Ph.D ( ICT, Mumbai) , INDIA 25Yrs Exp. in the feld of Organic Chemistry,Working for GLENMARK GENERICS at Navi Mumbai, INDIA. Serving chemists around the world. Helping them with websites on Chemistry.Million hits on google, world acclamation from industry, academia, drug authorities for websites, blogs and educational contribution

Thursday 31 October 2013

Cinacalcet Hydrochloride spectral data

 


IR (KBr) (cm–1): 3447, 2964, 1587, 800, 776. 


MS: m/z = 358.3 [M + H] +.




1H NMR (CDCl3): δ 1.98 (d, J = 6.7 Hz, 3H), 2.2–2.35 (m, 2H), 2.46–2.60 (m, 2H), 2.55–2.85 (m, 2H), 5.10–5.25 (m, 1H), 7.16–7.26 (m, 3H), 7.31–7.33 (d, J = 7.4 Hz 1H), 7.54–7.65 (m, 3H), 7.88–7.97 (m, 3H), 8.23 (d, J = 7.2 Hz,1H). 

  
13C NMR (DMSO-d6): δ 19.99 (CH3), 27.01 (CH2), 31.50 (CH2), 44.65 (CH2), 52.05 (CH), 122.58, 122.69, 122.73, 124.42, 124.74, 124.67, 125.50, 126.10, 126.88, 128.83, 128.89, 129.32, 130.28, 132.39, 133.32, 134.10, 142.25.
 http://pubs.acs.org/doi/full/10.1021/op300164y


........................................................
next set
  IR (KBr): 3427 (broad, –NH–), 2951, 2797, 2750, 2712, 1587, 1450, 1327, 1165, 1128, 1072, 798, 775 cm−1;  

1H NMR (DMSO-d6/TMS) δ 1.67 (d, J = 6.6, 3H, –CH3), 1.99 (quintet, 2H, –CH2), 2.70 (m, 2H, –CH2), 2.93 (m, 2H, –CH2), 5.30 (q, 1H, –CH), 7.46–7.61 (m, 7H, ArH), 7.95–8.03 (m, 3H, ArH), 8.23 (d, J = 8.0, 1H, ArH), 9.36 (s, 1H, –NH) and 10.04 (s, 1H, HCl); 

 13C NMR (DMSO-d6/TMS) δ 142.61, 134.48, 133.70, 132.80, 130.64, 129.74, 129.58,129.28, 127.29, 126.54, 125.90, 125.08, 124.67, 123.16, 122.98, 52.37, 45.04, 31.84, 27.44, 20.30; 

MS m/z: 358 [M + 1]+.
http://www.beilstein-journals.org/bjoc/single/articleFullText.htm?publicId=1860-5397-8-158

...........................
 IR (KBr) cm−1: 3436, 2962, 2797, 1587, 1450, 1379, 1327, 1166, 1129, 797, 774, 746; 
MS: m/z = 358.79 [M + H] +;  
1H NMR (400 MHz, DMSO-d6): δ = 1.67−1.69 (d, 3H), 1.97−2.02 (m, 2H), 2.67−2.69 (t, 4H), 5.27 (q, 1H), 7.44−7.46 (m, 4H), 7.54−7.61 (m, 3H), 7.93−7.99 (m, 2H), 8.026−8.08 (d, J = 7.2 Hz, 1H), 8.20−8.23 (d, J = 7.2 Hz, 1H), 9.46 (s, 1H), 10.17 (s, 1H);  
13C NMR (100 MHz, DMSO-d6): δ = 20.49 (CH3), 27.50 (CH2), 32.02 (CH2), 45.18 (CH2), 52.60 (CH), 123.06, 123..23, 123.26, 124.94, 125.17, 125.21 (CF3), 126.0, 126.60, 127.39, 129.35, 129.39, 129.82, 130.79, 132.88, 133.83, 134.58, 142.75; 
Anal. Calcd for C22H23NF3Cl: C, 67.09; H, 5.84; N, 3.55; Found: C, 66.92; H, 5.68; N, 3.58.
 http://pubs.acs.org/doi/full/10.1021/op200016a

No comments:

Post a Comment