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CAS No.: | 169280-56-2 |
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Name: | 4-AMINO-N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-N-ISOBUTYLBENZENE-1-SULFONAMIDE |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C20H29N3O3S |
Molecular Weight: | 391.535 |
Synonyms: | Benzenesulfonamide,4-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-, [R-(R*,S*)]-; |
Density: | 1.226 g/cm3 |
Boiling Point: | 609.105 °C at 760 mmHg |
Flash Point: | 322.175 °C |
PSA: | 118.03000 |
LogP: | 4.20870 |
[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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Stage #1: [(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester With palladium 10% on activated carbon; ammonium formate; acetic acid In tetrahydrofuran at 15 - 20℃; Large scale; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 35 - 45℃; Large scale; | 99.4% |
Stage #1: [(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester With triethanolamine; hydrogen; palladium 10% on activated carbon In methanol at 40 - 45℃; for 2h; Stage #2: With hydrogenchloride; water for 2h; Reflux; Stage #3: With sodium hydroxide In water; isopropyl alcohol at 20℃; for 10h; pH=9 - 10; | 95% |
Multi-step reaction with 2 steps 1: 95 percent / H2 / Pd/C / ethyl acetate / 11 h / 23 °C 2: CF3COOH / CH2Cl2 / 0.67 h / 23 °C View Scheme |
3-S-(N-tert-butyloxyformamido)-[2R-hydroxy-1-[(4-aminophenylsulfonyl)(2-methylpropyl)]amino]-4-phenylbutane
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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With trifluoroacetic acid In dichloromethane for 4h; | 96% |
With trifluoroacetic acid In dichloromethane at 23℃; for 0.666667h; | |
With trifluoroacetic acid In dichloromethane at 20℃; | 0.75 g |
N-(3-dibenzylamino-2-hydroxy-4-phenylbutyl)-N-isobutyl-4-nitrobenzenesulfonamide
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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With hydrogen; palladium on activated charcoal In methanol at 20℃; | 95% |
With hydrogen; palladium dihydroxide In methanol at 23℃; for 4h; Catalytic hydrogenation; hydrogenolysis; |
N-(3S-amino-2R-hydroxy-4-phenylbutyl)-N-isobutyl-4-nitro-benzenesulfonamide hydrochloride
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 2585.81 Torr; for 2h; Inert atmosphere; | 94% |
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 2585.81 Torr; for 2h; | 94% |
With palladium 10% on activated carbon; hydrogen In methanol at 25℃; under 2585.81 Torr; for 2h; | 94% |
4-nitro-N-((2R(syn),3S)-3-(N-benzyloxycarbonylamino)-2-hydroxy-4-phenylbutyl)-N-isobutyl-benzenesulfonamide
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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With hydrogen; palladium(II) hydroxide/carbon In methanol at 40℃; under 760.051 Torr; for 3.5h; | 91% |
With hydrogen; palladium(II) hydroxide/carbon In methanol at 40℃; under 760.051 Torr; for 3 - 5.5h; | 90% |
Stage #1: 4-nitro-N-((2R(syn),3S)-3-(N-benzyloxycarbonylamino)-2-hydroxy-4-phenylbutyl)-N-isobutyl-benzenesulfonamide With hydrogenchloride; hydrogen; palladium(II) hydroxide/carbon In methanol; water at 40℃; under 760.051 Torr; for 21h; Stage #2: With sodium hydroxide In water at 4℃; for 5.7h; | 71% |
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 25 - 35℃; Solvent; Reagent/catalyst; | 89.6% |
(2R,3S)-3-benzyloxycarbonylamino-2-hydroxy-1-(N-isobutylamino)-4-phenylbutane
4-Nitrobenzenesulfonyl chloride
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
---|---|
Stage #1: (2R,3S)-3-benzyloxycarbonylamino-2-hydroxy-1-(N-isobutylamino)-4-phenylbutane; 4-Nitrobenzenesulfonyl chloride With triethylamine In ethyl acetate at 40℃; for 3h; Stage #2: With hydrogen; 5% Pd(OH)2/C In methanol at 40℃; under 760.051 Torr; for 5h; | 87% |
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
---|---|
With potassium carbonate In water at 50 - 60℃; for 3h; | 76.39% |
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
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With hydrogen; palladium on activated charcoal In ethyl acetate |
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester
4-amino-N-(2R,3S)(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: propan-2-ol / 2 h / 80 °C 2: 0.88 g / triethylamine / CH2Cl2 / 4 h / 20 °C 3: H2 / Pd(OH)2 on carbon / ethyl acetate / 1 h 4: 0.75 g / trifluoroacetic acid / CH2Cl2 / 20 °C View Scheme | |
Multi-step reaction with 4 steps 1: 97 percent / propan-2-ol / 3 h / 80 °C 2: 90 percent / Et3N / CH2Cl2 / 16 h 3: 95 percent / H2 / Pd(OH)2 / ethyl acetate / 4 h 4: 96 percent / TFA / CH2Cl2 / 4 h View Scheme | |
Multi-step reaction with 4 steps 1: 99 percent / propan-2-ol / 6 h / Heating 2: 96 percent / NaHCO3 / H2O; CH2Cl2 / 12 h / 23 °C 3: 95 percent / H2 / Pd/C / ethyl acetate / 11 h / 23 °C 4: CF3CO2H / CH2Cl2 / 0.67 h / 23 °C View Scheme |
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Molecule structure of 4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide (CAS NO.169280-56-2):
Molecular Weight: 391.5276 g/mol
Molecular Formula: C20H29N3O3S
Density: 1.226 g/cm3
Boiling Point: 609.105 °C at 760 mmHg
Flash Point: 322.175 °C
Index of Refraction: 1.605
Molar Refractivity: 109.917 cm3
Molar Volume: 319.307 cm3
Polarizability: 43.575×10-24 cm3
Surface Tension: 55.775 dyne/cm
Enthalpy of Vaporization: 95.139 kJ/mol
InChI: InChI=1/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20/m0/s1
InChIKey of 4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide (CAS NO.169280-56-2): NUMJNKDUHFCFJO-XJDOXCRVBY