A method for preparing 1-substituted homotaurine from α, β-unsaturated nitrile
A high taurine, unsaturated technology, applied in sulfonic acid preparation, organic chemistry, etc., can solve the problems of raw material limitation, troublesome desalination and purification process, etc., and achieve the effect of simple operation
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Embodiment 1
[0038] 1-Amino-3-butanesulfonic acid 4a preparation of
[0039] Dissolve 5 mmol of α,β-unsaturated nitrile in 20 mL of toluene, add catalytic amount of base Bu 3 N, nitrogen protection, control the temperature at 75-85 o Between C, 456 mg (6 mmol) of thioacetic acid was added dropwise, and reacted at this temperature for 6 h. Reaction finishes and removes solvent, separates by silica gel column chromatography (petroleum ether: ethyl acetate=8:1 is eluent), product R f Between 0.55-0.65, the brownish-red oily addition product cyanothiol acetate shown in formula 2 was obtained, with a yield of 46%.
[0040] 8 mmol LiAlH 4 Dissolve in 20 mL of anhydrous ether, and slowly add 10 mL of 0.1 mol / L ether solution of cyanothiol acetate dropwise under ice-water bath. After the dropwise addition, stirring was continued for 2 h in an ice-water bath. After the reaction is complete, add water to quench, filter out insoluble impurities, and use CH 2 Cl 2 Extract with ethyl acetate, c...
Embodiment 2
[0042] 1-Phenyl-3-propanesulfonic acid 4b preparation of
[0043] According to the method described in Example 1, using cinnamonitrile as a raw material, a light yellow crystal addition product was obtained with a yield of 42%, m.p.76-77 o C; After reduction and oxidation, a colorless solid product was obtained with a yield of 64%. m.p. 313-314 o C; 1 H NMR (400 MHz, D 2 O) δ : 7.34 (s, 5H, ArH), 4.03 (dd, J = 4.8, 10.8 Hz, 1H, CHSO 3 ); 2.93 (ddd, J = 4.8, 10.8, 10.8 Hz, 1H in CH 2 N); 2.76 (ddd, J = 4.8, 10.8, 10.8 Hz, 1H in CH 2 N); 2.50 (dddd, J = 4.8, 4.8, 10.8, 10.8 Hz, 1H in CH 2 ); 2.35 (dddd, J = 4.8, 10.8, 10.8, 10.8 Hz, 1H in CH 2 ). 13 C NMR (100 MHz, D 2 O / HCO 2 h) δ :28.3, 37.5, 63.4, 128.7, 128.9, 129.1, 134.4. IR ( ν , cm -1 ): 3406.8 (br, s, OH, NH), 1238.1 (S=O), 1177.0 (S=O). HRMS (ESI) Calcd. for C 9 h 14 NO 3 S [M+H] + m / z : 216.0694; Found 216.0691.
Embodiment 3
[0045] 1-p-methylphenyl-3-propanesulfonic acid 4c preparation of
[0046] According to the method described in Example 1, using p-methylcinnamonitrile as a raw material, a light yellow crystal addition product was obtained with a yield of 31%, m.p.68-69 o C; After reduction and oxidation, a colorless solid product was obtained with a yield of 82.3%; m.p. 350-352 o C; 1 H NMR (400 MHz, D 2 O) δ : 2.16 (s, 3H, CH 3 ), 2.25 (dddd, J = 5.2, 10.4, 10.4, 13.6 Hz, 1H in CH 2 ), 2.41 (dddd, J = 4.8, 6.0, 10.4, 13.6 Hz, 1H in CH 2 ), 2.66 (ddd, J = 5.2, 10.4, 12.4 Hz, 1H in CH 2 N), 2.84 (ddd, J = 6.0, 10.4, 12.4 Hz, 1H in CH 2 N), 3.91 (dd, J = 4.8, 10.4 Hz, 1H, CHSO 3 ), 7.09-7.17 (m, 4H, ArH). 13 C NMR (D 2 O / HCO 2 h) δ: 14.8, 22.9, 32.1, 57.6, 123.6, 124.0, 125.9, 133.5. IR ( ν , cm -1 ): 3423.1 (br, s, OH, NH), 1208.2 (S=O), 1169.9 (S=O). HRMS (ESI) Calcd. for C 10 h 15 NNaO 3 S [M+Na] + m / z : 252.0670; Found 252.0678.
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