(S)-3-(furan-3-yl)-2,2-dimethyl-4-nitrobutanal | 1214939-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: (S)-3-(furan-3-yl)-2,2-dimethyl-4-nitrobutanal
• 英文别名: (3S)-3-(furan-3-yl)-2,2-dimethyl-4-nitrobutanal
• CAS: 1214939-15-7
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: KODQVHVXNXKBBM-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2-硝基乙烯基)呋喃 、 异丁醛 、 异丙醇 、 正己烷 、 氯仿 反应 0.35h， 生成 (S)-3-(furan-3-yl)-2,2-dimethyl-4-nitrobutanal
  参考文献：
  名称：

  Tricyclic chiral compounds and their use in asymmetric catalysis

  摘要：

  本发明涉及一种通式为（XX）的化合物，其形成和在不对称催化中的应用。在式（XX）中，R和R31独立地为—COOR3、—R4COOR3、—R4CHO、—R4COR3、—R4CONR5R6、—R4COX、—R4OP（═O）（OH）2、—R4P（═O）（OH）2）、—R4C（O）C（R3）CR5R6和—R4CO2COR3。此外，R31也可以是氢。R3、R5和R6独立地为氢、具有1到约20个碳原子的主链的脂肪族基团、螺环烷基团、芳香基团、芳基脂肪族基团或芳基螺环基团，包括0到约3个独立选择自N、O、S、Se和Si的杂原子。R4为具有1到约20个碳原子的主链的脂肪族桥、螺环桥、芳香桥、芳基脂肪族桥或芳基螺环桥，包括0到约3个独立选择自N、O、S、Se和Si的杂原子，X为卤素。在式（XX）中，R30为—C（OH）R1R2或—COOR14，其中R1、R2和R14独立地为氢、具有1到约20个碳原子的主链的脂肪族基团、螺环烷基团、芳香基团、芳基脂肪族基团或芳基螺环基团，包括0到约3个独立选择自N、O、S、Se和Si的杂原子。

  公开号：

  US09206090B2

文献信息

• NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS
  申请人：Loh Teck Peng

  公开号：US20110269972A1

  公开（公告）日：2011-11-03

  The present invention relates to a compound of general Formula (XX), its formation and its use in asymmetric catalysis. In Formula (XX) R and R 31 are independently —COOR 3 , —R 4 COOR 3 , —R 4 CHO, —R 4 COR 3 , —R 4 CONR 5 R 6 , —R 4 COX, —R 4 OP(═O)(OH) 2 , —R 4 P(═O)(OH) 2 ), —R 4 C(O)C(R 3 )CR 5 R 6 and —R 4 CO 2 COR 3 . In addition, R 31 may also be hydrogen. R 3 , R 5 and R 6 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si. R 4 an aliphatic bridge with a main chain having 1 to about 20 carbon atoms, an alicyclic bridge, an aromatic bridge, an arylaliphatic bridge or an arylalicyclic bridge, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si, and X is halogen. In Formula (XX) R 30 is —C(OH)R 1 R 2 or —COOR 14 , wherein R 1 , R 2 and R 14 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si.

  本发明涉及一种一般式（XX）的化合物，其形成以及在不对称催化中的应用。在式（XX）中，R和R31独立地为—COOR3，—R4COOR3，—R4CHO，—R4COR3，—R4CONR5R6，—R4COX，—R4OP(═O)(OH)2，—R4P(═O)(OH)2，—R4C(O)C(R3)CR5R6和—R4CO2COR3。此外，R31也可以是氢。R3、R5和R6独立地为氢，具有主链含有1至约20个碳原子的脂肪基团，脂环基团，芳香基团，芳基脂基团或芳基脂环基团，包括0至约3个从N、O、S、Se和Si组成的杂原子。R4为具有主链含有1至约20个碳原子的脂肪桥，脂环桥，芳香桥，芳基脂桥或芳基脂环桥，包括0至约3个从N、O、S、Se和Si组成的杂原子，X为卤素。在式（XX）中，R30为—C(OH)R1R2或—COOR14，其中R1、R2和R14独立地为氢，具有主链含有1至约20个碳原子的脂肪基团，脂环基团，芳香基团，芳基脂基团或芳基脂环基团，包括0至约3个从N、O、S、Se和Si组成的杂原子。
• US9206090B2
  申请人：——

  公开号：US9206090B2

  公开（公告）日：2015-12-08
• US9969739B2
  申请人：——

  公开号：US9969739B2

  公开（公告）日：2018-05-15
• [EN] NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS<br/>[FR] NOUVEAUX COMPOSÉS CHIRAUX TRICYCLIQUES ET LEUR UTILISATION EN CATALYSE ASYMÉTRIQUE
  申请人：UNIV NANYANG

  公开号：WO2010027334A1

  公开（公告）日：2010-03-11

  The present invention relates to a compound of general Formula Formula (XX), its formation and its use in asymmetric catalysis. In Formula (XX) R and R31 are independently -COOR3, -R4COOR3, -R4CHO, -R4COR3, -R4CONR5R6, -R4COX, -R4OP(=O)(OH)2,, -R4P(=O)(OH)2), -R4C(O)C(R3)CR5R6 and -R4CO2COR3. In addition, R31 may also be hydrogen. R3, R5 and R6 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si. R4 an aliphatic bridge with a main chain having 1 to about 20 carbon atoms, an alicyclic bridge, an aromatic bridge, an arylaliphatic bridge or an arylalicyclic bridge, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si, and X is halogen. In Formula (XX) R30 is -C(OH)R1R2 or -COOR14, wherein R1, R2 and R14 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si.