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CAS No.: | 172900-83-3 |
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Name: | Aliskiren inter-8 |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H39NO6 |
Molecular Weight: | 437.577 |
Synonyms: | Carbamicacid, [(1S,3S)-1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-,1,1-dimethylethyl ester, [S-(R*,R*)]-; |
Density: | 1.046 g/cm3 |
Boiling Point: | 554.43 °C at 760 mmHg |
Flash Point: | 289.109 °C |
PSA: | 83.09000 |
LogP: | 4.79840 |
(2S,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methylhexan-1-ol
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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With sulfur trioxide pyridine complex; triethylamine In dimethyl sulfoxide at 0 - 20℃; for 1h; | 100% |
With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine at 0 - 20℃; for 1h; | 100% |
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane Swern oxidation; | 89% |
methyl (2S,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methylhexanoate
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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With diisobutylaluminium hydride In toluene at -75℃; for 0.833333h; | |
Multi-step reaction with 2 steps 1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 2: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
(2R,5S)-3,6-diethoxy-2-isopropyl-5-((S)-2-(4-methoxy-3-(3-methoxypropoxy)benzyl)-3-methylbutyl)-2,5-dihydropyrazine
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 4 steps 1: HCl / acetonitrile 2: Et3N 3: NaBH4 / ethanol 4: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme |
isovanillin
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 12 steps 1: 98 percent / K2CO3 / acetonitrile 2: NaBH4 / ethanol 3: PBr3 / CH2Cl2 4: 76 percent / LiHMDS / tetrahydrofuran 5: 81 percent / LiOH; H2O2 6: 95 percent / LAH / tetrahydrofuran 7: 97 percent / PPh3; NBS / CH2Cl2 8: 68 percent / n-BuLi 9: HCl / acetonitrile 10: Et3N 11: NaBH4 / ethanol 12: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 11 steps 1.1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran; toluene / 24 h / 20 °C 2.1: sodium tetrahydroborate; ethanol / 20 °C 3.1: pyridine; phosphorus tribromide / diethyl ether / 3 h / 20 °C 4.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / Cooling with acetone-dry ice 4.2: 20 °C / Cooling with acetone-dry ice 5.1: lithium borohydride; water / diethyl ether / 0.67 h / 0 °C 6.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 7.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 7.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 8.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 8.2: 0 °C 9.1: dichloromethane / 14 h / 20 °C 10.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 11.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
(R)-4-benzyl-3-(3-methylbutyryl)oxazolidin-2-one
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 9 steps 1: 76 percent / LiHMDS / tetrahydrofuran 2: 81 percent / LiOH; H2O2 3: 95 percent / LAH / tetrahydrofuran 4: 97 percent / PPh3; NBS / CH2Cl2 5: 68 percent / n-BuLi 6: HCl / acetonitrile 7: Et3N 8: NaBH4 / ethanol 9: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 8 steps 1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / Cooling with acetone-dry ice 1.2: 20 °C / Cooling with acetone-dry ice 2.1: lithium borohydride; water / diethyl ether / 0.67 h / 0 °C 3.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 4.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 4.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 5.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 5.2: 0 °C 6.1: dichloromethane / 14 h / 20 °C 7.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 8.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
4-methoxy-3-(3-methoxypropoxy)benzaldehyde
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 11 steps 1: NaBH4 / ethanol 2: PBr3 / CH2Cl2 3: 76 percent / LiHMDS / tetrahydrofuran 4: 81 percent / LiOH; H2O2 5: 95 percent / LAH / tetrahydrofuran 6: 97 percent / PPh3; NBS / CH2Cl2 7: 68 percent / n-BuLi 8: HCl / acetonitrile 9: Et3N 10: NaBH4 / ethanol 11: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 10 steps 1.1: sodium tetrahydroborate; ethanol / 20 °C 2.1: pyridine; phosphorus tribromide / diethyl ether / 3 h / 20 °C 3.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / Cooling with acetone-dry ice 3.2: 20 °C / Cooling with acetone-dry ice 4.1: lithium borohydride; water / diethyl ether / 0.67 h / 0 °C 5.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 6.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 6.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 7.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 7.2: 0 °C 8.1: dichloromethane / 14 h / 20 °C 9.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 10.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
(R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutanol
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 6 steps 1: 97 percent / PPh3; NBS / CH2Cl2 2: 68 percent / n-BuLi 3: HCl / acetonitrile 4: Et3N 5: NaBH4 / ethanol 6: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 6 steps 1.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 2.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 2.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 3.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 3.2: 0 °C 4.1: dichloromethane / 14 h / 20 °C 5.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 6.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
(R)-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-(1-methylethyl)propanoic acid
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 7 steps 1: 95 percent / LAH / tetrahydrofuran 2: 97 percent / PPh3; NBS / CH2Cl2 3: 68 percent / n-BuLi 4: HCl / acetonitrile 5: Et3N 6: NaBH4 / ethanol 7: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme |
4-(bromomethyl)-1-methoxy-2-(3-methoxypropoxy)-benzene
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 9 steps 1: 76 percent / LiHMDS / tetrahydrofuran 2: 81 percent / LiOH; H2O2 3: 95 percent / LAH / tetrahydrofuran 4: 97 percent / PPh3; NBS / CH2Cl2 5: 68 percent / n-BuLi 6: HCl / acetonitrile 7: Et3N 8: NaBH4 / ethanol 9: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 8 steps 1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / Cooling with acetone-dry ice 1.2: 20 °C / Cooling with acetone-dry ice 2.1: lithium borohydride; water / diethyl ether / 0.67 h / 0 °C 3.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 4.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 4.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 5.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 5.2: 0 °C 6.1: dichloromethane / 14 h / 20 °C 7.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 8.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
[4-methoxy-3-(3-methoxypropoxy)-phenyl]methanol
(1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
Conditions | Yield |
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Multi-step reaction with 10 steps 1: PBr3 / CH2Cl2 2: 76 percent / LiHMDS / tetrahydrofuran 3: 81 percent / LiOH; H2O2 4: 95 percent / LAH / tetrahydrofuran 5: 97 percent / PPh3; NBS / CH2Cl2 6: 68 percent / n-BuLi 7: HCl / acetonitrile 8: Et3N 9: NaBH4 / ethanol 10: 89 percent / DMSO; ClC(O)C(O)Cl; Et3N / CH2Cl2 View Scheme | |
Multi-step reaction with 9 steps 1.1: pyridine; phosphorus tribromide / diethyl ether / 3 h / 20 °C 2.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / Cooling with acetone-dry ice 2.2: 20 °C / Cooling with acetone-dry ice 3.1: lithium borohydride; water / diethyl ether / 0.67 h / 0 °C 4.1: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 3 h 5.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / Cooling with acetone-dry ice 5.2: 16.17 h / -78 °C / Cooling with acetone-dry ice 6.1: hydrogenchloride; water / acetonitrile / 3 h / 20 °C 6.2: 0 °C 7.1: dichloromethane / 14 h / 20 °C 8.1: lithium borohydride / tetrahydrofuran / 15 h / 20 °C 9.1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine / 1 h / 0 - 20 °C View Scheme |
Product Name: tert-Butyl [(1S,3S)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-1-formyl-4-methylpentyl]carbamate (CAS NO.172900-83-3)
Molecular Formula: C24H39NO6
Molecular Weight: 437.57g/mol
Mol File: 172900-83-3.mol
Boiling point: 554.43 °C at 760 mmHg
Flash Point: 289.109 °C
Density: 1.046 g/cm3
Surface Tension: 35.657 dyne/cm
Enthalpy of Vaporization: 83.55 kJ/mol
tert-Butyl [(1S,3S)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-1-formyl-4-methylpentyl]carbamate , its CAS NO. is 172900-83-3, the synonyms are Aliskiren inter-8 ; (1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester .