Synthesis of N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide (3) was synthesized by reacting 4,4,4-trifluorobutanoic acid (1) with 2-amino-4-chlorobenzonitrile (2) in the presence of triethylamine and propylphosphonic anhydride in ethyl acetate. Character­ization of the compound was done by IR, 1H-NMR, 13C-NMR, LC-MS and CHN analysis.

Molbank 2013, 2013(3), M803; doi:10.3390/M803

Short Note

N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

Karikere Ekanna Manojkumar ¹, Swamy Sreenivasa ^1,* , Govindaiah Shivaraja ¹ and Tadimety Madhu Chakrapani Rao ²

Dr. S. Sreenivasa ,  Associate Professor,                        Tumkur University

email...........drsreenivasa@yahoo.co.in. 

¹ Center for Advanced Materials, Department of Chemistry, Tumkur University, Tumkur-572103, India² Tadimety Aromatics Pvt. Ltd, Hirehalli Industrial Area, Tumkur-572168, India

* Author to whom correspondence should be addressed.

ತುಮಕೂರು ವಿಶ್ವವಿದ್ಯಾನಿಲಯ TUMKUR UNIVERSITY

Synthesis of N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide (3)

compound (3) as a colorless solid with Rf = 0.79.

Yield: 1.63 g (90%).

Melting point: 151–153 °C.

MS: m/z = 277.64 (M++1).

IR: νmax/cm−1: 3340 (N-H), 2228 (CN), 1698 (CO), 1342–1140 (CF3 streching).

1H-NMR (DMSO-d6) δ: 10.47 (s, 1H, NH), 7.88 (d, J = 8.7 Hz, 1H, Ar-H), 7.80 (d, J = 1.9 Hz, 1H,

Ar-H), 7.45 (dd, J = 8.3 Hz and J = 1.5 Hz, 1H, Ar-H), 2.74 (t, J = 7.5 Hz, 2H, COCH2),

2.67–2.55 (m, 2H, CF3CH2).

13C-NMR (DMSO-d6) δ: 169.3, 141.2, 138.3, 134.8, 128.7 CF3, 125.9, 124.6, 115.9, 104.9, 28.7, 27.8.

Elemental analysis: Calculated for C11H8ClF3N2O: C, 47.76%; H, 2.91%; N, 10.13%. Found: C,

47.79%; H, 2.96%; N, 10.19%. 

Center for Advanced Materials, Department of Chemistry, Tumkur University, Tumkur-572103, India

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TAXOL

Taxol之結構分析
	1H spectrum of Taxol 13C spectrum of Taxol TOCSY spectrum of Taxol DQF-COSY spectrum of Taxol NOESY spectrum of Taxol Gradient HSQC spectrum of Taxol Gradient HMBC spectrum of Taxol 15N-1H HSQC of Taxol

N,N-Dimethyl-5-nitropyridin-2-amine

N,N-Dimethyl-5-nitropyridin-2-amine³⁰ (3d)

Yellow solid; mp 155-157 °C; 

¹H NMR (DMSO-d₆, 400 MHz) 

δ 9.02 (d, 1H, J 2.8 Hz), 

8.26 (dd, 1H, J 9.2; 2.8 Hz), 

6.80 (d, 1H, J 9.2 Hz), 

3.25 (s, 6H); 

IR (KBr) ν_max/cm^-1: 2924, 2854, 1597, 1335, 1295, 1118, 810; 

MS (CI method): 168 (M+1, 100%).

30. Heindel, N. D.; Kannewell, P. D.; Chem. Commun. 1969, 38.         [ Links ]

4,5-Dimethylbenzene-1,2-dimethanol

 white solid (total yield 13.6 g, 91%), mp 95–96 °C (lit. [7] mp95–98 °C).

IR: 3245 cm−1;

1H NMR (CDCl3, 400 MHz):
δ 7.12 (s, 2H),  AR-H
4.68 (s, 4H),  2XCH2
2.83 (s, 2H),  -OH
2.26 (s, 6H);  2XCH3

13C NMR (CDCl3, 100 MHz):
δ 136.80,
136.76,
131.31,
63.97,      -OCH2
19.32.           -CH3

Molbank 2014, 2014(4), M835; doi:10.3390/M835

http://www.mdpi.com/1422-8599/2014/4/M835

4,5-Dimethylbenzene-1,2-dimethanol

Krishna Kumar Gnanasekaran

, Richard A. Bunce *  and K. Darrell Berlin

Department of Chemistry, Oklahoma State University, 107 Physical Sciences, Stillwater, OK 74078, USA

krishna.gnanasekaran@okstate.edu (K.K.G.); kdb@okstate.edu (K.D.B.) ,  E-Mail: rab@okstate.edu; 

1. 1. See photos

      

4'-Bromophenyl Triptycene-2,5-diol

T-Br-PH

M.p. 118.0–119.6 °C

1H-NMR (400 MHz, DMSO-d6): δ = 9.09 (s, 1H), 8.40 (s, 1H), 8.41 (s, 1H), 7.52 (dd, J = 8.4 Hz and 2 Hz,

2H), 7.40 (dd, J = 8.4 Hz and 2 Hz, 4H), 7.32 (dd, J = 8.4 Hz and 2.8 Hz, 2H), 6.97 (dd, J = 8.4 Hz and

2 Hz, 4H). 6.36 (s, 1H), 5.99 (s, 1H), 5.82 (s, 1H).

13C-NMR (100 MHz, DMSO-d6): 146.11, 145.96, 141.72, 138.67, 135.08, 132.29, 131.72, 127.03,

125.28, 125.19, 124.21, 124.03, 120.18, 114.41, 60.20, 47.40, 47.09, 21.21 and 14.55.

MS: m/z (ES), 440.2 [(M−1)−].

Elemental analysis: Calculated for C26H17BrO2 (441.31): C, 70.76%; H, 3.88%; O, 7.25%. Found: C,

70.62%; H, 3.76%; O, 7.17%.

Molbank 2013, 2013(1), M796; doi:10.3390/M796

Short Note

4'-Bromophenyl Triptycene-2,5-diol

Shimoga D. Ganesh ¹, Karkala V. Pai ^1,*  and Mahadevappa Y. Karidurganavar ²

email............vasantapai@gmail.com.

¹ Department of Industrial Chemistry, School of Chemical Sciences, Jnana Sahyadri, Kuvempu University, Shankaraghatta 577451, Shimoga, Karnataka, India² Department of Chemistry and Center of Excellence in Polymer Science, Karnatak University, Dharwad 580003, India

file:///C:/Users/Inspiron/Downloads/molbank-2013-M796%20(1).pdf

Diels Alder reaction of 4-bromophenylquinone (Br-PQ) with anthracene, followed by reduction affords the desired 4'-bromophenyl triptycene-2,5-diol (T-Br-PH). The described synthesis represents a simple and efficient method for the construction of a triptycene ring with a bromophenyl pendant. The intermediate and the final compound (T-Br-PH) have been characterized by elemental analysis, NMR, and LCMS techniques.

4-Bromophenylquinone 

see............file:///C:/Users/Inspiron/Downloads/molbank-2013-M796-s001.pdf

Br-PQ

1H-NMR (400 MHz, DMSO-d6): δ = 7.63 (d, J = 8 Hz, 2H), 7.46 (d, J = 8 Hz, 2H), 6.95 (d, J = 7.2 Hz,

1H), 6.90 (d, J = 10 Hz, 1H), 6.68 (s, 1H).

13C-NMR (100 MHz, DMSO-d6): 150.65, 147.15, 138.44, 131.53, 131.26, 127.21, 120.15, 117.45,

116.61, 115.97.

LCMS: m/z (ES), 262.1 [(M−1)−].

Elemental analysis: Calculated for C12H7BrO2 (263.08): C, 54.78%; H, 2.68%; O, 12.16%. Found: C,

54.52%; H, 2.48%; O, 12.02%.

http://www.kuvempu.ac.in/

Kuvempu University

Kuvempu University, Shankaraghatta 577451, Shimoga, Karnataka, India

Kuvempu University, Shankaraghatta 577451, Shimoga, Karnataka, India

http://www.kuvempuuniversitydde.org/index1.html





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