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阿利克仑中间体 | 866030-35-5

阿利克仑中间体
tert-butyl N-[(1S,3S)-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-pentyl]carbamate
866030-35-5
C30H49NO7
535.712569952011
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:阿利克仑中间体结构式
阿利克仑中间体价格
名称和标识符
MDL MFCD20526612
InChIKey CYUJPKOZIGBPOO-IGRGDXOOSA-N
Inchi 1S/C30H49NO7/c1-19(2)22(15-21-11-12-25(35-9)27(16-21)36-14-10-13-34-8)17-24(31-29(33)38-30(5,6)7)26-18-23(20(3)4)28(32)37-26/h11-12,16,19-20,22-24,26H,10,13-15,17-18H2,1-9H3,(H,31,33)/t22-,23-,24-,26-/m0/s1
SMILES [C@H]([C@H]1OC(=O)[C@H](C(C)C)C1)(NC(=O)OC(C)(C)C)C[C@@H](C(C)C)CC1C=CC(OC)=C(OCCCOC)C=1
别名信息
- 中文别名 -
  • [(1S,3S)-3-[[4-甲氧基-3-(3-甲氧基丙氧基)苯基]甲基]-4-甲基-1-[(2S,4S)-四氢-4-异丙基-5-氧代-2-呋喃基]戊基]-氨基甲酸叔丁酯
  • [(1S,3S)-3-[[4-甲氧基-3-(3-甲氧基丙氧基)苯基]甲基]-4-甲基-1-[(2S,4S)-四氢-4-(1-甲基乙基)-5-氧代-2-呋喃基]戊基]氨基甲酸1,1-叔丁酯
  • [(1S,3S)-3-[[4-甲氧基-3-(3-甲氧基丙氧基)苯基]甲基]-4-甲基-1-[(2S,4S)-四氢-4-异丙基-5-氧代-2-呋喃基]戊基]氨基甲酸叔丁酯
  • 阿利吉仑中间体
  • 阿利克仑中间体
- 英文别名 -
  • tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methy
  • (1S,3S)-3-[[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]METHYL]-4-METHYL-1-[(2S, 4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURA...
  • [(1S,3S)-3-[[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]METHYL]-4-METHYL-1- [(2S, 4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL]PENTYL]CARBAMIC ACID 1,1-TERT-BUTYL ESTER
  • [(1S,3S)-3-[[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]METHYL]-4-METHYL-1-[(2S, 4S)-TETRAHYDRO-4-(1...
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-fur...
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]p
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-Butyl Ester
  • Aliskiren Intermediate Ⅱ
  • tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methyl...
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic acid tert-butyl ester
  • CYUJPKOZIGBPOO-IGRGDXOOSA-N
  • AK105047
  • Intermediate of Aliskiren
  • C30H49NO7
  • [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-t
  • Tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-p
  • tert-butyl N-[(1S,3S)-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-pentyl]carbamate
  • 1,1-Dimethylethyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate (ACI)
  • Carbamic acid, [(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester (9CI)
物化性质
实验特性
LogP 6.18720
PSA 92.32000
沸点 650.438°C at 760 mmHg
密度 1.057
计算特性
精确分子量 535.35100
氢键供体数量 1
氢键受体数量 7
可旋转化学键数量 16
重原子数量 38
复杂度 720
拓扑分子极性表面积 92.3
合成路线

合成路线:1 步

反应条件:
参考文献:
Process development of generic Aliskiren
Barreca, Giuseppe; et al, Chimica e l'Industria (Milan, 2013, 95(2), 129-132

合成路线:1 步

反应条件:
参考文献:
Convergent Synthesis of the Renin Inhibitor Aliskiren Based on C5-C6 Disconnection and CO2H-NH2 Equivalence
Cini, Elena; et al, Organic Process Research & Development, 2016, 20(2), 270-283
化合物详情(旧版)

SMILES

COCCCOC1=C(OC)C=CC(=C1)C[C@H](C(C)C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H](C(C)C)C(=O)O2

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