2-(乙酰氨基)-2-丁烯酸 | 55649-71-3

• 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
• 中文名称: 2-(乙酰氨基)-2-丁烯酸
• 英文名称: 2-Butenoic acid, 2-(acetylamino)-
• 英文别名: (E)-2-acetamidobut-2-enoic acid
• CAS: 55649-71-3
• 化学式: C₆H₉NO₃
• 分子量: 143.14
• InChiKey: RZLLYKKORUSDSK-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Guanidino compounds
  申请人：CHIRON CORPORATION

  公开号：US20030195187A1

  公开（公告）日：2003-10-16

  A variety of small, guanidino group-containing molecules capable of acting as MC4-R agonists are provided. The compounds have various structures provided herein. The compounds are useful in treating MC4-R mediated diseases and may be formulated into pharmaceutical formulations and compositions.

  提供了一系列含有小的胍基团的分子，可以作为MC4-R激动剂。这些化合物具有不同的结构。这些化合物在治疗MC4-R介导的疾病方面是有用的，可以制成药物配方和组合物。
• COORDINATION COMPLEX SYSTEM COMPRISING TAUTOMERIC LIGANDS
  申请人：Reek Joost Nikolaas Hendrik

  公开号：US20110003959A1

  公开（公告）日：2011-01-06

  The invention relates to a coordination complex system comprising a ligand having the formula: R 1 —SO 2 —NH—P (XR 2 ) 2 (1a); or R 1 —SO 2 —N═PH (XR 2 ) 2 (1b); or R 1 —SO(OH)═N—P(XR 2 ) 2 (1c); wherein X is independently O, S, NH, or a bond; R 1 and R 2 are independently selected from hydrogen and substituted or unsubstituted alkyl or aryl; wherein at least one equivalent of the ligand is complexed to an equivalent of a metal selected from a transition metal and lanthanide. The invention also relates to the use of said coordination complexes as catalysts in the hydroformylation, hydrogenation, transfer hydrogenation, hydrocyanation, polymerization, isomerization, carbonylation, cross-coupling, metathesis, CH activation, allylic substitution, aldol condensation, or Michael addition.

  本发明涉及一种配位复合物系统，其包括具有以下式子的配体：R1—SO2—NH—P(XR2)2(1a)；或R1—SO2—N═PH(XR2)2(1b)；或R1—SO(OH)═N—P(XR2)2(1c)；其中X独立地为O，S，NH或键；R1和R2独立地选择氢和取代或未取代的烷基或芳基；其中至少一个配体当量与从过渡金属和镧系金属中选择的金属当量结合。本发明还涉及所述配位复合物在氢甲酰化、加氢、转移加氢、加氰、聚合、异构化、羰基化、交叉偶联、交换反应、CH活化、烯丙基取代、醛缩合或迈克尔加成中作为催化剂的用途。
• Coordination complex system comprising tautomeric ligands
  申请人：Universiteit van Amsterdam

  公开号：EP2062906A1

  公开（公告）日：2009-05-27

  The invention relates to a coordination complex system comprising a ligand (1) having the formula: R1-SO2-NH-P(XR2)2 (1a) ; or R1-SO2-N=PH(XR2)2 (1b); or R1-SO(OH)=N-P(XR2)2 (1c) ; wherein X is independently O, S, NH, or a bond; R1 and R2 are independently selected from substituted or unsubstituted alkyl and aryl; wherein at least one equivalent of a ligand (1) is complexed to a metal selected from a transition metal and lanthanide; wherein Y is O, S, NH, or a bond. The invention also relates to the use of said coordination complexes as catalysts in the hydroformylation, hydrogenation, transfer hydrogenation, hydrocyanation, polymerization, isomerization, carbonylation, cross-coupling, metathesis, CH activation, allylic substitution, aldol condensation, or Michael addition.

  本发明涉及一种配位复合物体系，该体系由具有以下式子的配体（1）组成：R1-SO2-NH-P(XR2)2 (1a) ；或 R1-SO2-N=PH(XR2)2 (1b) ；或 R1-SO(OH)=N-P(XR2)2 (1c) ；其中 X 独立地为 O、S、NH 或键；R1 和 R2 独立地选自取代或未取代的烷基和芳基；其中至少一个当量的配体（1）与选自过渡金属和镧系元素的金属络合；其中 Y 是 O、S、NH 或键。 本发明还涉及将所述配位络合物用作加氢甲酰化、氢化、转移氢化、氢氰化、聚合、异构化、羰基化、交叉偶联、偏合成、CH 活化、烯丙基取代、醛醇缩合或迈克尔加成中的催化剂。
• Method of chemically modifying the internal region of a hair shaft
  申请人：The Procter & Gamble Company

  公开号：EP2295029A1

  公开（公告）日：2011-03-16

  A method of chemically modifying the internal region of a hair shaft, comprising the steps of: providing and applying to hair a treatment composition comprising from 0.1% to 20% of an ethylenic monomer by weight of the total composition, an initiator and a dermatologically acceptable carrier; and exposing the hair to a relative humidity of at least 70%, within 1 h of applying the treatment composition, and said exposure lasting for 10 to 90 min. Said method provides improved performance, efficacy and/or efficiency.

  一种对发干内部区域进行化学修饰的方法，包括以下步骤：提供并向头发施用一种处理组合物，该组合物包含占总组合物重量 0.1% 至 20% 的乙烯单体、引发剂和皮肤病学上可接受的载体；以及在施用处理组合物后 1 小时内，将头发暴露在相对湿度至少为 70% 的环境中，所述暴露持续 10 至 90 分钟。所述方法可提高性能、功效和/或效率。
• Coordination complex system comprising a second bulding block without donor moiety
  申请人：Universiteit van Amsterdam

  公开号：EP2559484A1

  公开（公告）日：2013-02-20

  The invention relates to a coordination complex system for chemically converting a substrate comprising a non-protein ligand having a first building block with at least one functional group and at least one donor moiety, which donor moiety is complexed to a metal selected from a transition metal and lanthanide or an organometallic precursor thereof, characterized in that the ligand further comprises at least one second building block not having a donor moiety and having at least one functional group that is complementary to the at least one functional group of the first building block, wherein the first building block and the second building block are non-covalently bonded through their functional groups. These coordination complex systems are used as a catalyst for chemical reactions such as hydroformylation, hydrogenation, transfer hydrogenation, hydrocyanation, polymerization, isomerization, carbonylation, cross-coupling, metathesis, CH-activation, allylic substitution, aldol condensation, and Michael addition, preferably to obtain chiral compounds.

  本发明涉及一种用于底物化学转化的配位络合物体系，该体系包括一个非蛋白配体，该配体具有一个带有至少一个官能团的第一结构单元和至少一个供体分子，该供体分子与选自过渡金属和镧系元素的金属或其有机金属前体络合、其特征在于，配体还包括至少一个不具有供体分子的第二结构单元，该第二结构单元具有至少一个与第一结构单元的至少一个官能团互补的官能团，其中第一结构单元和第二结构单元通过它们的官能团非共价键合。这些配位复合物体系可用作化学反应的催化剂，如加氢甲酰化、氢化、转移氢化、氢氰化、聚合、异构化、羰基化、交叉偶联、偏合成、CH-活化、烯丙基取代、醛醇缩合和迈克尔加成，最好是用于获得手性化合物。

表征谱图