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Friday 2 January 2015

5,5-Dimethyl-2,2-di(pyridin-2-yl)hexahydropyrimidine


Colorless, Mp: 103 °C;
Molecular formula C16H20N4;
1H-NMR (250 MHz, CDCl3):
(ppm) 0.99 (s, 6H, CH3), 2.69 (br, 4H, CH2), 3.24 (br, 2H, NH), 7.10–8.20 (3m, 10H, Py–H),
13C-NMR
(62.5 MHz, CDCl3): (ppm) 24.83 (2CH3), 28.29 (C), 53.43 (2CH2), 75.82 (CN2) 122.09, 122.15 (p-CH
and m-CH), 136.70 (o-CH), 149.04 (m-CHN), 162.23 (i-C-Py).
Calcd. for C16H20N4: C, 71.61; H, 7.51;
N, 20.88. Found: C, 71.25; H, 7.31; N, 20.55).
[M+] = 270 m/z.
IR: 3390 cm−1N-H, 3080 cm−1C–H Py,2980–2700 cm−1C-H aliphatic.
Molbank 20152015(1), M838; doi:10.3390/M838
Short Note

5,5-Dimethyl-2,2-di(pyridin-2-yl)hexahydropyrimidine


Dr Ismail warad
warad@najah.edu

1 Department of Chemistry, AN-Najah National University P.O. Box 7, Nablus, Palestine
2 Department of Chemistry, College of Science, University of Hail, P.O. Box 2440, Hail, Saudi Arabia
3 Laboratoire LCM, Faculty of Science, University Mohammed Premier, Oujda-60000, Morocco
4 LCAE-URAC18, Faculty of Science, University Mohammed Premier, Oujda-60000, Morocco
Abstract: Novel 5,5-dimethyl-2,2-di(pyridin-2-yl)hexahydropyrimidine was synthesized in good yield by a one-pot condensation reaction of 2,2-dimethylpropane-1,3-diamine with di(pyridin-2-yl)methanoneusing dichloromethane as solvent at room temperature. The structure of the synthesized compound was assigned on the basis of its elemental analysis, UV-visible, 1H-NMR, 13C-NMR, IR, and mass spectral data.
http://www.mdpi.com/1422-8599/2015/1/M838



An-Najah National University is a vibrant hub of learning which nourishes science, knowledge and understanding. An-Najah offers undergraduate instruction in ...







Dr. Iz-Addin noted that the idea of the Bioequivalence Unit began in 1994 with the establishment of the Faculty of Pharmacy. Since that time, An-Najah has made considerable progress in the field of pharmacy, conducting a number of studies throughout the 1990s and founding The Drug Control and Biological and Chemical Analysis Center in 1999. Since its establishment, the Center has been working in cooperation with the Ministry of Health to offer drug analysis services. In order to build on its pharmaceutical research and services, the University launched a feasibility study in 2009, examining the possibility of founding a bioequivalence unit. Following the results of the study, in 2012, the University presented a formal application to the Ministry of Health to receive the first accreditation for a unit focusing on bioequivalence studies. 

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PALESTINE











Thursday 1 January 2015

trans-Chalcone

 

614-47-1 Structure

trans-Chalcone




IR




MASS



RAMAN



 13 C NMR

 






1H NMR









DEPT 90
 1D DEPT90, n/a spectrum for chalcone

 HSQC
 2D [1H,13C]-HSQC, n/a spectrum for chalcone


 HMBC
 2D [1H,13C]-HMBC, n/a spectrum for chalcone



COSY
 2D [1H,1H]-COSY, n/a spectrum for chalcone



TOCSY




2D [1H,1H]-TOCSY, n/a spectrum for chalcone


 Chemistry Letters, 24, p. 987, 1995
Journal of the American Chemical Society, 104, p. 4724, 1982
Tetrahedron Letters, 8, p. 1861, 1967









[4'-(benzyloxy)-2',6'-dimethylbiphenyl-3-yl]methanol

    Reference Example 44[4'-(benzyloxy)-2',6'-dimethylbiphenyl-3-yl]methanol
  • In the same manner as in Reference Example 6, the title compound was obtained as a colorless oil from 4'-(benzyloxy)-2',6'-dimethyl-3-biphenylcarbaldehyde. yield 95%.

    1H NMR (CDCl3) δ: 1. 65 (1H, t, J=5.9Hz), 2.01 (6H, s), 4. 73 (2H, d, J=5.9Hz), 5. 07 (2H, s), 6. 75 (2H, s), 7. 07 (1H, d, J=7.3Hz), 7.13 (1H, s), 7. 30-7.48 (7H, m).
     http://www.google.com/patents/EP1630152A1?cl=en


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2-Chloro-7-methyl-3-({4-[(4-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinoline



Molbank 20132013(2), M797; doi:10.3390/M797
Short Note

2-Chloro-7-methyl-3-({4-[(4-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinoline



1 MNR Degree & PG College, Kukatpally, Hyderabad-500085, A.P., India2 Department of Chemistry, School of Engineering, Anurag Group of Institutions, Ranga Reddy District-501301, A.P., India
The title compound, 2-chloro-7-methyl-3-({4-[(4-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinoline was synthesized in one pot. The structure of the compound was fully characterized by IR, 1H and 13C-NMR, mass spectral analysis and elemental analysis.
 

Description of the compound 2: Off white solid.

Yield: 1.54 g, 94%.

M.p.: 175–177 °C.
Rf: 0.39 (Chloroform:Ethyl acetate = 3:1).
IR υmax (KBr, cm−1): 3151, 3118, 2924, 2852, 1594, 1496.0, 1340, 1264, 1230, 1111.

Mass (ES): m/z 410 (M+1, 100%).
1H-NMR (CDCl3, 400 MHz): δ 8.20 (d, J = 9.3 Hz, 2H), 7.94 (s, 1H), 7.80 (s, 2H), 7.66 (d, 1H, J = 8.3 Hz),
7.42 (d, 1H, J = 8.3 Hz), 7.07 (d, 2H, J = 9.3 Hz), 5.82 (s, 2H), 5.32 (s, 2H), 2.57 (s, 3H).

13C-NMR (CDCl3, 100 MHz): δ 163.0, 148.9, 147.9, 142.7, 142.4, 141.9, 140.8, 138.8, 137.0, 130.2,
127.4, 125.9, 125.3, 123.5, 114.9, 62.4, 51.5, 27.5.
Elemental analysis found C, 58.46; H, 3.79; N, 17.38. Calc. for C20H16ClN5O3; C, 58.61; H, 3.94; Cl,
8.65; N, 17.09; O, 11.71. 

 










ANDHRA FOOD


















Synthesis of 2-{[5-(diphenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyrazin- 2-yl) acetamide





2-{[5-(diphenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyrazin- 2-yl) acetamide

Molbank 20132013(2), M800; doi:10.3390/M800
Short Note

2-{[5-(Diphenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyrazin-2-yl)acetamide



1 Department of Studies in Chemistry, Mangalore University, Mangalagangotri-574 199, Karnataka, India2 Research Department of Chemistry, P. A. College of Engineering, Nadupadavu, Mangalore 574153, Karnataka, India
nbadiadka@yahoo.co.uk.

http://www.mdpi.com/1422-8599/2013/2/M800
file:///C:/Users/Inspiron/Downloads/molbank-2013-M800.pdf

S-Alkylation of 5-(diphenylmethyl)-1,3,4-oxadiazole-2(3H)-thione (3) by 2-chloro-N-(pyrazin-2-yl)acetamide (2) affords the title compound, 2-{[5-(diphenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyrazin-2-yl)acetamide (4). The intermediate (2), in turn, was prepared by the acetylation of 2-aminopyrazine (1) with chloroacetyl chloride. The structure of the newly synthesized compound is characterized by IR, NMR and mass spectral data.

Melting point: 210–212 °C.
LCMS: m/z = 404.5 (M++1).

IR (KBr): νmax (cm−1), 3201 (N-H), 3041 (Ar-H), 1699 (alkyl-CO-NH) , 1555 (C=N, Ar C=C).
1H-NMR (400 MHz, DMSO-d6): δ ppm, 4.53 (s, 2H, S-CH2), 5.93 (s, 1H, Ph2-CH), 7.22–7.36 (m,
11H, Ar-H), 8.38–8.41 (m, 2H, Ar-H), 11.15 (s, 1H, NH).


13C-NMR (100 MHz, DMSO-d6,): δ ppm, 168.52 (C=O), 166.41, 163.89 (oxadiazole C’s), 148.75,
143.11, 140.54, 139.07, 136.55, 129.14, 128.75, 127.82 (aromatic C’s), 47.61(S-CH2), 36.78 (Ph2-CH).


Elemental analysis: Calculated for C21H17N5O2S, C, 62.52%; H, 4.25%; N, 17.36%; Found: C,
62.49%; H, 4.28%; N, 17.32%.

The formation of 2-{[5-(diphenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyrazin-2-yl)acetamide
(4) was confirmed by its NMR and mass spectral data. A singlet integrating for two protons at δ 4.53
in the 1H-NMR spectrum of compound (4) was due to -S-CH2 linkage. Another singlet observed at δ
5.93 ppm was due to the proton attached the carbon for which two phenyl groups were substituted. The signals of aromatic protons merged in the regions δ 7.22–7.36 ppm and 8.38–8.41 ppm as multiplets.NH proton appeared as a singlet at δ 11.15 ppm as a singlet. Mass spectrum showed a molecular ionpeak at m/z 404.5 (M++1) corresponding to the molecular formula of C21H17N5O2S. Elemental analysis and 13C-NMR spectrum also gave satisfactory results for the title compound.






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