180975-51-3 (顺式-5-Boc-六氢吡咯并[3,4-b]吡咯,tert-butyl cis-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate)

CAS号:
180975-51-3
中文名称:
顺式-5-Boc-六氢吡咯并[3,4-b]吡咯
英文名称:
tert-butyl cis-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
分子式:
C11H20N2O2
分子量:
212.288702964783
相关分类:

顺式-5-Boc-六氢吡咯并[3,4-b]吡咯(180975-51-3)名称与标识符

名称

中文别名:
(3AS, 6AS)-六氢吡咯并[3, 4-B]吡咯-5(1H)-甲酸叔丁酯;顺式-5-Boc-六氢吡咯并[3,4-b]吡咯;顺式-六氢吡咯并[3,4-b]吡咯-5(1H)-甲酸叔丁酯;(3AS, 6AS)-六氢-吡唑[3,4-B]吡咯烷-5-甲酸叔丁酯;
英文别名:
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-;(CIS)-5-BOC-HEXAHYDRO-PYRROLO[3,4-B]PYRROLE;5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrrole;cis-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole;cis-5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrrole;tert-butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;cis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester;tert-Butyl cis-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;(3aS,6aS)-1-tert-butyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate;(3aS, 6aS)-Hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester;(3aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;tert-butyl rac-(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;(3AS,6aS)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylate;NYGXZCRPVBPJTA-DTWKUNHWSA-N;tert-butyl cis-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate;cis-Hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester;CHEMBL4584582;CIS-TERT-BUTYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE;A812574;PYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLIC ACID, HEXAHYDRO-, 1,1-DIMETHYLETHYL ESTER, (3AS,6AS)-;CS-0021111;tert-butyl (3aS,6aS)-hexahydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate;SCHEMBL1135376;EN300-26877;Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-;MFCD09040441;tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate;(3 aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;A874191;tert-Butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate;rel-(3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;180975-51-3;MFCD11045908;AS-31810;tert-Butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, AldrichCPR;EN300-248736;tert-butyl (3aS,6aS)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate;AKOS010366952;AM803396;370882-55-6;rac-tert-butyl (3aR,6aR)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate;tert-butyl (3aS,6aS)hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;cis-5-Boc-1H-Hexahydropyrrolo[3 pound not4-b]pyrrole;AC-31870;DB-352734;rac-tert-butyl (3aR,6aR)-octahydropyrrolo(3,4-b)pyrrole-5-carboxylate;FHA97551;820-623-9;

标识符

MDL:
MFCD11045908
InChIKey:
NYGXZCRPVBPJTA-DTWKUNHWSA-N
Inchi:
1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
SMILES:
O(C(C)(C)C)C(N1C[C@@H]2[C@@H](CCN2)C1)=O

顺式-5-Boc-六氢吡咯并[3,4-b]吡咯(180975-51-3)物化性质

实验特性

  • LogP : 1.48190
  • PSA : 41.57000
  • 折射率 : 1.494
  • 沸点 : 295.397 °C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 132.451℃
  • 颜色与性状 : No data avaiable
  • 密度 : 1.076

计算特性

  • 精确分子量 : 212.15200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 212.152477885g/mol
  • 重原子数量 : 15
  • 复杂度 : 260
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : 0.9
  • 拓扑分子极性表面积 : 41.6

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