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


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  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

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 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