2-acetylamino-acrylic acid triethylammonium salt | 700378-12-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-acetylamino-acrylic acid triethylammonium salt
• 英文别名: 2-Acetamidoprop-2-enoate;triethylazanium
• CAS: 700378-12-7
• 化学式: C₅H₇NO₃*C₆H₁₅N
• 分子量: 230.307
• InChiKey: VSJHOEMNWDLWLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  73.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Phosphine ligands
  申请人：——

  公开号：US20040110975A1

  公开（公告）日：2004-06-10

  The invention is concerned with new phosphine ligands of formula I 1 wherein R 1 and R 2 are independently of each other unsubstituted alkyl, aryl, cycloalkyl or heteroaryl, or alkyl, aryl, cycloalkyl or heteroaryl each of which independently is substituted by alkyl, alkoxy, halogen, hydroxy, amino, mono- or dialkylamino, aryl, —SO 2 —R 7 , —SO 3 − , —CO—NR 8 R 8′ , carboxy, alkoxycarbonyl, trialkylsilyl, diarylalkylsilyl, dialkylarylsilyl or triarylsilyl; R 3 is alkyl, cycloalkyl, aryl or heteroaryl; R 4′ and R 4 are independently of each other hydrogen, alkyl or optionally substituted aryl; or R 4 and R 4 together with the C-atom they are attached, form a 3-8-membered carbocyclic ring; dotted line is optionally a double bond; R 5 and R 6 are independently of each other hydrogen, alkyl or aryl, R 7 is alkyl or aryl; and R 8 and R 8′ are independently of each other hydrogen, alkyl or aryl; the substituents attached by the bold bonds are in cis relation to each other; metal complexes with such ligands in asymmetric reactions.

  这项发明涉及一种新的磷配体，其化学式为I1，其中R1和R2分别独立地为未取代的烷基、芳基、环烷基或杂环烷基，或者独立地为被烷基、烷氧基、卤素、羟基、氨基、单烷基氨基或二烷基氨基、芳基、—SO2—R7、—SO3−、—CO—NR8R8′、羧基、烷氧羰基、三烷基硅基、二芳基烷基硅基、二烷基芳基硅基或三芳基硅基取代的烷基、芳基、环烷基或杂环烷基；R3为烷基、环烷基、芳基或杂环烷基；R4'和R4分别独立地为氢、烷基或可选择取代的芳基；或者R4和R4连同它们所连接的碳原子形成一个3-8环碳环；虚线可选为双键；R5和R6分别独立地为氢、烷基或芳基，R7为烷基或芳基；R8和R8'分别独立地为氢、烷基或芳基；由粗线连接的取代基之间呈顺式关系；含有这种配体的金属配合物在不对称反应中的应用。
• BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1567535A1

  公开（公告）日：2005-08-31
• US6984744B2
  申请人：——

  公开号：US6984744B2

  公开（公告）日：2006-01-10
• [EN] BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS<br/>[FR] LIGANDS PHOSPHINE CHIRAUX C,P BIDENTES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004050669A1

  公开（公告）日：2004-06-17

  The invention is concerned with new phosphine ligands of formula I wherein R1 and R2 are independently of each other alkyl, aryl, cycloalkyl or heteroaryl, said alkyl, aryl, cycloalkyl or heteroaryl may be substituted by alkyl, alkoxy, halogen, hydroxy, amino, mono- or dialkylamino, aryl, -S02-R7, -S03¯ , -CO-NR8BR8', carboxy, alkoxycarbonyl, trialkylsilyl, diarylalkylsilyl, dialkylarylsilyl or triarylsilyl; R3 is alkyl, cycloalkyl, aryl or heteroaryl; R4' and R4 signify independently of each other hydrogen, alkyl or optionally substituted aryl; or R4`’ and R4 together with the C-atom they are attached to form a 3-8-membered carbocyclic ring; dotted line is absent or is present and forms a double bond; R5 and R6 are independently of each other hydrogen, alkyl or aryl, R7 is alkyl or aryl; and R8 and R8' are independently of each other hydrogen, alkyl or aryl; the substituents attached by the bold bondsare in cis relation to each other; metal complexes with such ligands as well as the use of such metal complexes as catalysts in asymmetric reactions.