229613-93-8 (帕拉米韦中间体2,(3aR,4R,6S,6aS)-4-(1,1-Dimethylethoxy)carbonylamino-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopentdisoxazole-6-carboxylic Acid Methyl Ester)

CAS号:
229613-93-8
中文名称:
帕拉米韦中间体2
英文名称:
(3aR,4R,6S,6aS)-4-(1,1-Dimethylethoxy)carbonylamino-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopentdisoxazole-6-carboxylic Acid Methyl Ester
分子式:
C18H30N2O5
分子量:
354.441205501556

帕拉米韦中间体2(229613-93-8)名称与标识符

名称

中文别名:
帕拉米韦中间体2;(3AR,4R,6S,6AS)-4-[叔丁氧羰基氨基]-3-(1-乙基丙基)-3A,5,6,6A-四氢-4H-环戊并[D]异恶唑-6-羧酸甲酯;(3aR,4R,6S,6aS)-4-[[(1,1-二甲基乙氧基)羰基]氨基]-3-(1-乙基丙基)-3a,5,6,6a-四氢-4H-环戊并[d]异噁唑-6-羧酸甲酯;(3aR,4R,6S,6aS)-4-[叔丁氧羰基氨基]-3-(1-乙基丙基)-3a,5,6,6a;喹喔啉-5-磺酰氯;帕拉米韦中间体;(3aR,4R,6S,6aS)-甲基-4-((叔丁氧羰基)氨基)-3-(戊烷-3-基)-4,5,6,6a-四氢-3aH -环戊烯[d]异恶唑-6-羧酸;(3AR,4R,6S,6aS)-甲基4-(叔但氧羰基氨基)-3-(戊-3-基)-4,5,6,6-四氢3AH-环戊[D]异恶唑6-羧酸;(3aR,4R,6S,6aS)-4-[叔丁氧羰基氨基]-3-(1-乙基丙基)-3a,5,6,6a-四氢-4H-环戊并[d]异恶唑-6-羧酸甲酯(帕拉米韦中间体2);
英文别名:
(1S-4R)-4-[[(1,1-diMethylethoxy)carbonyl]aMino]- 2-Cyclopentene-1-carboxylic acid Methyl ester;Peramivir Intermediate 2;methyl 2-((1R,4R)-4-((tert-butoxycarbonyl)amino)cyclopent-2-en-1-yl)acetate;Methyl 4-{[(tert-butoxy)carbonyl]aMino}-3-(pentan-3-yl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,2]oxazole-6-carboxylate;(3aR,4R,6S)-Methyl-4-((tert-butoxycarbonyl)aMino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate;(3aR,4R,6S,6aS)-Methyl 4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate;(3aR,4R,6S,6aS)-4-[[(1,1-DiMethylethoxy)carbonyl]aMino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic Acid Methyl Ester;methyl (3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate;(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cy;(3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate;(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole...;(3AR,4R,6S,6AS)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-3-(PENTAN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D]ISOXAZOLE-6-CA...;(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic;(3aR,4R,6S,6aS)-methyl 2-cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1S,4R)-;4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate;Methyl (1S,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylate;(3ar,4r,6s,6as)-methyl 4-(tert-butoxycarbonylamino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]isoxazole-6-carboxylate;WYUYCGDXMIJIAZ-KYEXWDHISA-N;AK159702;

标识符

MDL:
MFCD18206350
InChIKey:
WYUYCGDXMIJIAZ-KYEXWDHISA-N
Inchi:
1S/C18H30N2O5/c1-7-10(8-2)14-13-12(19-17(22)24-18(3,4)5)9-11(16(21)23-6)15(13)25-20-14/h10-13,15H,7-9H2,1-6H3,(H,19,22)/t11-,12+,13+,15+/m0/s1
SMILES:
O1[C@@H]2[C@@H](C(=O)OC)C[C@H]([C@@H]2C(C(CC)CC)=N1)NC(=O)OC(C)(C)C

帕拉米韦中间体2(229613-93-8)物化性质

实验特性

  • PSA : 64.63
  • 溶解度 : 几乎不溶 (0.012 g/L) (25 ºC),
  • 密度 : 1.22±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 241.13147
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 8
  • 重原子数量 : 25
  • 复杂度 : 536
  • 拓扑分子极性表面积 : 86.2

帕拉米韦中间体2(229613-93-8)安全信息

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