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CAS No. : | 114873-03-9 | MDL No. : | MFCD00672515 |
Formula : | C14H18ClNO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RCZHBTHQISEPPP-NSHDSACASA-N |
M.W : | 299.75 | Pubchem ID : | 2761465 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With diazomethyl-trimethyl-silane In methanol; hexane; benzene at 0 - 25℃; for 24.5h; | 25.A EXAMPLE 25 (E)- (S)-4- (3-Biphenyl-4-yl-ureido)-5- (3-chloro-phenyl)-pent-2-enoic acid (2- pyrrolidin-1-yl-ethyl)-amide. A. (S)-2-tert-Butoxvcarbonylamino-3- (3-chloro-phenvl)-propionic acid methyl ester. To a cooled solution (0 °C) of (S)-2-tert-butoxycarbonylamino-3- (3- chloro-phenyl)-propionic acid (2.0 g, 1.0 mmol) in MeOH (8 mL) was added a solution of TMS-diazomethane (2 M in hexanes, 12.8 mL) in benzene (8 mL) over 30 min. The solution was allowed to warm and was stirred (25 °C, 24 h). The solvent was removed in vacuo, and the resulting residue was purified by column chromatography using 0-55% (EtOAc/hexanes) to provide the desired product as a clear oil (1.96 g, 94%). MS (electrospray) : mass calculated for C, 5H20CINO4, 313.78 ; m7/zfound, 336.1 [M+Na] +. 1H NMR (CDC13, 400 MHz): 7.07 (d, J = 4.5 Hz, 2H), 6.97 (br s, 1 H), 6.87 (t, J = 3.7 Hz, 1 H), 4.87 (br s, 1 H), 4.42 (dd, J = 14.0, 6.4 Hz, 1 H), 3.57 (s, 3H), 2.96 (dd, J = 14.0, 5.6 Hz, 1 H), 2.85 (dd, J = 14.0, 6.4 Hz, 1 H), 1.27 (s, 9H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20.0℃; for 168.0h; | (S)-tert-butyl 3-(3-chlorophenyl)-l-oxo-l-(2-oxo-5-(pyridin-4-yl)-l,2- dihydropyridin-3-ylamino)propan-2-ylcarbamate (25.1. C). <strong>[60719-84-8]Amrinone</strong> 25.1.A (Sigma, 250 mg, 1.33 mmol), (S)-2-(tert-butoxycarbonyl)-3-(3-chlorophenyl)propanoic acid 25.1.B (400 mg, 1.33 mmol), HBTU (608 mg, 1.60 mmol), and DIPEA (350 muL, 2.00 mmol) were stirred in DMF (10 ml) at room temperature for a week. The reaction mixture was diluted with water and filtered and the resulting solid was used in the next step without further purification. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 0 - 20℃; for 2.5h; Inert atmosphere; | C tert-butyl ((S)-3-(3-chlorophenyl)-1-(((S)-1-(4-methoxyphenyl)-2-oxo-2-(((2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino)ethyl)amino)-1-oxopropan-2-yl)carbamate In a round-bottomed flask, (S)-2-amino-2-(4-methoxyphenyl)-N-((2S,3S)-l, l,l-trifluoro-2- hydroxy-4-methylpentan-3-yl)acetamide hydrochloride (0.418 g, 1.13 mmol), (2S)-2-(tert- butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid (0.338 g, 1.13 mmol) and HATU (0.471 g, 1.24 mmol) were dissolved in DMF (4 mL) and the mixture cooled to 0°C. Hiinig's base (0.591 mL, 3.38 mmol) was added to the reaction mixture which was stirred at this temperature for 10 min, then allowed to warm up to room temperature and stirring was continued for 2.5 hours. The mixture was diluted with EtOAc, poured into a IN aqueous HC1 solution (5 mL) and the aqueous layer was extracted with EtOAc (2 x 20 mL). Combined organics were washed with a sat. NaHC03 solution (5 mL), then brine before being dried over Na2S04, filtered and concentrated in vacuo. The residue was purified by silica gel flash chromatography eluting with a 0 to 70% EtOAc-heptane gradient to give the title compound (0.598 g, 84%) as an off- white solid. MS: 616.4 (M+H+). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; | A-3.A [A] tert-Butyl N-[(2S)-3-(3-chlorophenyl)-1-[(2S,4R)-4-[(4-methoxyphenyl)methylsulfonyl]-2-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate To a solution of (2S,4R)-4-((4-methoxybenzyl)sulfonyl)-N-((2S,3S)-l, l,l-trifluoro-2-hydroxy-4- methylpentan-3-yl)pyrrolidine-2-carboxamide x HCl (Intermediate A- l, 0.130 g, 0.266 mmol), (2S)-2-((ieri-butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid (0.08 g, 0.266 mmol) and HATU (0.121 g, 0.319 mmol) in DMF (2 mL) was added Huenig's base (0.139 mL, 0.798 mmol) and the reaction mixture stirred at room temperature overnight. The mixture was diluted with EtOAc and washed with IN aqueous HCl solution and brine. The organic phase was dried over Na2S04, filtered and evaporated. The residue was purified by silica gel flash chromatography eluting with a 10 to 80% EtOAc-heptane gradient to give the title compound (0.148 g, 76%) as a colorless solid. MS: 734.3 (M+H+). |
[ 51301-86-1 ]
2-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
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