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CAS No.: | 191226-98-9 |
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Name: | tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C25H35N3O7S |
Molecular Weight: | 521.635 |
Synonyms: | carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester;tert-Butyl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-nitrophenyl)sulfonyl]amino}-1-phenylbutan-2-yl]carbamate; |
Density: | 1.242 g/cm3 |
Melting Point: | 166-168 °C |
PSA: | 150.14000 |
LogP: | 5.73330 |
4-Nitrobenzenesulfonyl chloride
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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With sodium hydrogencarbonate In dichloromethane; water at 20℃; for 21h; | 100% |
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃; for 4h; | 98.2% |
With sodium hydrogencarbonate In dichloromethane; water at 23℃; for 12h; | 96% |
isobutylamine
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester
4-Nitrobenzenesulfonyl chloride
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Stage #1: isobutylamine; (1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester for 3h; Heating; Stage #2: 4-Nitrobenzenesulfonyl chloride With triethylamine In dichloromethane Reflux; | 92.88% |
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 2 steps 1: ethanol / 3 h / 80 °C 2: aq. Na2CO3 / CH2Cl2 / 0 - 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: propan-2-ol / 2 h / 80 °C 2: 0.88 g / triethylamine / CH2Cl2 / 4 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 97 percent / propan-2-ol / 3 h / 80 °C 2: 90 percent / Et3N / CH2Cl2 / 16 h View Scheme |
2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 6 steps 1.1: p-TsOH*H2O / CH2Cl2 2.1: NaH / tetrahydrofuran 3.1: CuBr*SMe2 / tetrahydrofuran 4.1: p-TsOH*H2O 4.2: KOH / methanol 5.1: 90 percent / propan-2-ol / 5 h / 50 °C 6.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme | |
Multi-step reaction with 6 steps 1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C 2: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 3: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C 4: Bu4NF / tetrahydrofuran 5: 90 percent / propan-2-ol / 5 h / 50 °C 6: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme | |
Multi-step reaction with 6 steps 1.1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C 2.1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 3.1: 82 percent / Et3N / methanol / 18 h / 20 °C 4.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C 4.2: 75 percent / KOH / methanol / 2 h / 20 °C 5.1: 90 percent / propan-2-ol / 5 h / 50 °C 6.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
N-t-butyloxycarbonyl-2(S)-(1(S)-t-butyldimethylsilyloxy-2-chloroethyl)aziridine
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 4 steps 1: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C 2: Bu4NF / tetrahydrofuran 3: 90 percent / propan-2-ol / 5 h / 50 °C 4: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: 82 percent / Et3N / methanol / 18 h / 20 °C 2.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C 2.2: 75 percent / KOH / methanol / 2 h / 20 °C 3.1: 90 percent / propan-2-ol / 5 h / 50 °C 4.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
(S)-2-[(S)-2-Chloro-1-(tetrahydro-pyran-2-yloxy)-ethyl]-aziridine-1-carboxylic acid tert-butyl ester
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: CuBr*SMe2 / tetrahydrofuran 2.1: p-TsOH*H2O 2.2: KOH / methanol 3.1: 90 percent / propan-2-ol / 5 h / 50 °C 4.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
2(S)-t-butyldimethylsilyloxy-3(R)-(t-butyloxycarbonyl)amino-1,4-dichlorobutane
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 5 steps 1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 2: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C 3: Bu4NF / tetrahydrofuran 4: 90 percent / propan-2-ol / 5 h / 50 °C 5: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme | |
Multi-step reaction with 5 steps 1.1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C 2.1: 82 percent / Et3N / methanol / 18 h / 20 °C 3.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C 3.2: 75 percent / KOH / methanol / 2 h / 20 °C 4.1: 90 percent / propan-2-ol / 5 h / 50 °C 5.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
[(1R,2S)-3-Chloro-1-chloromethyl-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: NaH / tetrahydrofuran 2.1: CuBr*SMe2 / tetrahydrofuran 3.1: p-TsOH*H2O 3.2: KOH / methanol 4.1: 90 percent / propan-2-ol / 5 h / 50 °C 5.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
[(1S,2S)-1-Benzyl-3-chloro-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: p-TsOH*H2O 1.2: KOH / methanol 2.1: 90 percent / propan-2-ol / 5 h / 50 °C 3.1: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
2(S)-t-butyldimethylsilyloxy-3(S)-(t-butyloxycarbonyl)amino-1-chloro-4-phenylbutane
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 3 steps 1: Bu4NF / tetrahydrofuran 2: 90 percent / propan-2-ol / 5 h / 50 °C 3: 88 percent / Et3N / CH2Cl2 / 12 h / 20 °C View Scheme |
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Molecule structure of Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (CAS NO.191226-98-9):
Molecular Weight: 521.6263 g/mol
Molecular Formula: C25H35N3O7S
Density: 1.242 g/cm3
Melting Point: 166-168 °C
Index of Refraction: 1.568
Molar Refractivity: 137.378 cm3
Molar Volume: 420.071 cm3
Polarizability: 54.461×10-24 cm3
Surface Tension: 50.964 dyne/cm
InChI: InChI=1/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1
InChIKey: CQGKCZKCWMWXQP-XZOQPEGZBV
Product Categories: Chiral Reagents; Intermediates; Isotope Labeled Compounds; Sulfur & Selenium Compounds
Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (CAS NO.191226-98-9) is used as a intermediate in the synthesis of Amprenavir, a selective HIV protease inhibitor.
Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (CAS NO.191226-98-9) is also named as [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid tert-Butyl Ester ; N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-carbamic Acid 1,1-Dimethylethyl Ester ; tert-Butyl (2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate ; tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate . Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (CAS NO.191226-98-9) is white solid.