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)

CAS号:
866030-35-5
中文名称:
阿利克仑中间体
英文名称:
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
分子式:
C30H49NO7
分子量:
535.712569952011

阿利克仑中间体(866030-35-5)名称与标识符

名称

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);[(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;AC-28921;tert-Butyl((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate;DTXSID60469997;Carbamic acid, 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]-, 1,1-dimethylethyl ester;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]carbamic Acid 1,1-Dimethylethyl Ester;;Carbamic acid, 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)-, 1,1-dimethylethyl ester;MFCD20526612;TERT-BUTYL N-[(1S,3S)-1-[(2S,4S)-4-ISOPROPYL-5-OXOOXOLAN-2-YL]-3-{[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]METHYL}-4-METHYLPENTYL]CARBAMATE;CID 11649505;tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate;UNII-S79DP4SNC5;tert-Butyl {(3S)-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2S,4S)-5-oxo-4-(propan-2-yl)oxolan-2-yl]pentyl}carbamate;866030-35-5;DS-4442;AKOS016007785;{(1S,3S)-1-((2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl)-3-[4-methoxy-3-(3-methoxypropoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester;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;SCHEMBL842150;C76822;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;S79DP4SNC5;AKOS015994960;CS-0155178;

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

阿利克仑中间体(866030-35-5)物化性质

实验特性

  • LogP : 6.18720
  • PSA : 92.32000
  • 沸点 : 650.438°C at 760 mmHg
  • 闪点 : 347.172 °C
  • 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
  • 同位素质量 : 535.35090290g/mol
  • 重原子数量 : 38
  • 复杂度 : 720
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 6.4
  • 拓扑分子极性表面积 : 92.3

阿利克仑中间体(866030-35-5)安全信息

阿利克仑中间体(866030-35-5)生产方法和用途

用途:
阿利克仑中间体。

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