p-Acetamino-zimtsaeure-methylester | 20883-97-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: p-Acetamino-zimtsaeure-methylester
• 英文别名: Methyl-p-acetamidocinnamat；Methyl 3-(4-acetamidophenyl)prop-2-enoate
• CAS: 20883-97-0
• 化学式: C₁₂H₁₃NO₃
• 分子量: 219.24
• InChiKey: NVPUAPCWSYBSQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  p-Chlormercuri-acetanilid 、 丙烯酸甲酯（MA） 在 lithium tetrachloropalladate 作用下， 生成 p-Acetamino-zimtsaeure-methylester
  参考文献：
  名称：

  Acylation, methylation, and carboxyalkylation of olefins by Group VIII metal derivatives

  摘要：

  DOI：

  10.1021/ja01022a034

文献信息

• Ferrocenyl Ligands For Homogeneous, Enantioselective Hydrogenation Catalysts
  申请人：Lotz Matthias

  公开号：US20080287698A1

  公开（公告）日：2008-11-20

  Compounds of the formula (I) or (I′), where R 1 is a hydrogen atom or C 1 -C 4 -alkyl and R′ 1 is C 1 -C 4 -alkyl; X 1 and X 2 are each, independently of one another, a secondary phosphine group; R 2 is hydrogen, R 01 R 02 R 03 Si—, C 1 -C 18 acyl substituted by halogen, hydroxy, C 1 -C 8 -alkoxy or R 04 R 05 N—, -or R 06 —X 01 —C(O)—; R 01 , R 02 and R 03 are each, independently of one another, C 1 -C 12 -alkyl, unsubstituted or C 1 -C 4 -alkyl or C 1 -C 4 -alkoxy-substituted C 6 -C 10 -aryl or C 7 -C 12 -aralkyl; R 04 and R 05 are each, independently of one another, hydrogen, C 1 -C 12 -alkyl, C 3 -C 8 -cycloalkyl, C 6 -C 10 -aryl or C 7 -C 12 -aralkyl, or R 04 and R 05 together are trimethylene, tetramethylene, pentamethylene or 3-oxapcntylene; R 06 is C 1 -C 18 -alkyl, unsubstituted or C 1 -C 4 -alkyl- or C 1 -C 4 -alkoxy-substituted C 3 -C 8 -cycloalkyl, C 6 -C 10 -aryl or C 7 -C 12 -aralkyl; X 01 is —O— or —NH—; T is C 6 -C 20 -arylene; v is 0 or an integer from 1 to 4; and * denotes a mixture of racemic or enantiomerically pure diastereomers or pure racemic or enantiomerically diastereomers, are excellent chiral ligands for metal complexes as enantioselective catalysts for the hydrogenation of prochiral organic compounds.

  式(I)或(I′)的化合物，其中R1是氢原子或C1-C4-烷基，R′1是C1-C4-烷基；X1和X2分别是次磷酸基团；R2是氢，R01R02R03Si—，C1-C18酰基取代的卤素、羟基、C1-C8烷氧基或R04R05N—，或R06—X01—C(O)—；R01、R02和R03分别是C1-C12烷基、未取代或C1-C4烷基或C1-C4烷氧基取代的C6-C10芳基或C7-C12芳基烷基；R04和R05分别是氢、C1-C12烷基、C3-C8环烷基、C6-C10芳基或C7-C12芳基烷基，或者R04和R05一起是三亚甲基、四亚甲基、五亚甲基或3-氧代戊亚甲基；R06是C1-C18烷基，未取代或C1-C4烷基或C1-C4烷氧基取代的C3-C8环烷基、C6-C10芳基或C7-C12芳基烷基；X01是—O—或—NH—；T是C6-C20芳基；v是0或1到4的整数；*表示混合的外消旋或对映纯二对映体或纯外消旋或对映纯二对映体，对于金属络合物作为催化剂，对非手性有机化合物的氢化反应具有优异的手性配体。
• Cycloaliphatic/aromatic diphosphines and use thereof in catalysis
  申请人：——

  公开号：US20040019205A1

  公开（公告）日：2004-01-29

  The present invention concerns novel unsymmetrical chiral diphosphines of a mixed aliphatic-aromatic type and processes for synthesizing them, complexes of these compounds with [lacuna] and their use as catalysts.

  本发明涉及一种新型的混合脂肪族-芳香族类型的不对称手性二膦化合物，以及合成它们的过程，这些化合物与[lacuna]的配合物以及它们作为催化剂的用途。
• [EN] SUBSTITUTED FERROCENYLDIPHOSPHINES AS LIGANDS FOR HOMOGENEOUS HYDROGENATION CATALYSTS<br/>[FR] UTILISATION DE FERROCENYLDIPHOSPHINES SUBSTITUEES EN TANT QUE LIGANDS POUR CATALYSEURS D'HYDROGENATION HOMOGENE
  申请人：UMICORE AG & CO KG

  公开号：WO2004099226A1

  公开（公告）日：2004-11-18

  Compounds of the formula (I), in which R1 is C1-C4alkyl, C6-C10aryi or C7-C11,aralkyl, R2 is an open-chain or cyclic secondary amino group, and R is a radical of the formula in which R3 is C1-C4alkyl or C1-C4alkoxy, and R4 is H, C1-C4alkyl or C1-C4alkoxy, are ligands for metal complexes as homogeneous hydrogenation catalysts for prochiral organic compounds containing double bonds, by means of which a very high activity and productivity and also enantioselectivity can be achieved.

  化合物的公式（I），其中R1是C1-C4烷基，C6-C10芳基或C7-C11芳烷基，R2是开链或环状的次级氨基团，R是公式中的基团，其中R3是C1-C4烷基或C1-C4烷氧基，R4是H，C1-C4烷基或C1-C4烷氧基，是金属配合物的配体，作为均相氢化催化剂用于含有双键的非对映有机化合物，通过这种方式可以实现非常高的活性和生产率，同时也可以实现对映选择性。
• Bidentate phosphorus ligands and their use in catalysis
  申请人：DEGUSSA AG

  公开号：US20020095049A1

  公开（公告）日：2002-07-18

  Chiral, unsymmetrical bidentate organophosphorus ligands of the formula (I) are reacted with transition metal centers to form complexes with catalytic activity. The compounds contain chiral bicycloaliphatic skeletons. Synthesis of the bidentate ligands proceeds from norbornyl derivatives. 1

  手性、非对称的双齿有机磷配体（化学式I）与过渡金属中心发生反应，形成具有催化活性的配合物。这些化合物包含手性的双环脂肪骨架。双齿配体的合成是从去莽烯衍生物开始进行的。
• Diphosphines and Metal Complexes
  申请人：Kesselgruber Martin

  公开号：US20090270622A1

  公开（公告）日：2009-10-29

  Compounds of the formula I or I′, where the radicals R 1 are each, independently of one another, a hydrogen atom or C 1 -C 4 -alkyl and R′ 1 , is C 1 -C 4 -alkyl; X 1 and X 2 are each, independently of one another, a sec-phosphino group; R 2 is hydrogen, R 01 R 02 R 03 Si— is halogen-, hydroxyl-, C 1 -C 8 -alkoxy- or R 04 R 05 N-substituted C 1 -C 18 -acyl or is R 06 —X 01 —C(O)—; R 01 , R 02 and R 03 are each, independently of one another, C 1 -C 12 -alkyl, unsubstituted or C 1 -C 4 -alkyl- or C 1 -C 4 -alkoxy-substituted C 6 -C 10 -aryl or C 7 -C 12 -aralkyl; R 04 and R 05 are each, independently of one another, hydrogen, C 1 -C 12 -alkyl, C 3 -C 8 -cycloalkyl, C 6 -C 10 -aryl or C 7 -C 12 -aralkyl, or R 04 and R 05 together are trimethylene, tetramethylene, pentamethylene or 3-oxapentylene; R 06 is C 1 -C 18 -alkyl, unsubstituted or C 1 -C 4 -alkyl- or C 1 -C 4 -alkoxy-substituted C 3 -C 8 -cycloalkyl, C 6 -C 10 -aryl or C 7 -C 12 -aralkyl; X 01 is —O— or —NH—; T is C-bonded C 3 -C 20 -heteroarylene; v is 0 or an integer from 1 to 4; X 1 in the heteroring of the heteroarylene is bound in the ortho position relative to the T—C* bond; and * indicates a mixture of racemic or enantiomerically pure diastereomers or pure racemic or enantiomerically pure diastereomers. The compounds are excellent chiral ligands for metal complexes as enantioselective catalysts for the hydrogenation of prochiral organic compounds.

  公式I或I'的化合物，其中基团R1分别是氢原子或C1-C4-烷基，R'1是C1-C4-烷基；X1和X2分别是sec-膦基团；R2是氢，R01R02R03Si—是卤素、羟基、C1-C8-烷氧基或R04R05N取代的C1-C18-酰基或是R06—X01—C(O)—；R01、R02和R03分别是C1-C12-烷基、未取代或C1-C4-烷基或C1-C4-烷氧基取代的C6-C10-芳基或C7-C12-芳基烷基；R04和R05分别是氢、C1-C12-烷基、C3-C8-环烷基、C6-C10-芳基或C7-C12-芳基烷基，或者R04和R05一起是三亚甲基、四亚甲基、五亚甲基或3-氧代戊亚甲基；R06是C1-C18-烷基，未取代或C1-C4-烷基或C1-C4-烷氧基取代的C3-C8-环烷基、C6-C10-芳基或C7-C12-芳基烷基；X01是—O—或—NH—；T是C键合的C3-C20-杂芳烃；v是0或1到4之间的整数；杂芳烃的异环中X1与T—C*键的正交位置相结合；*表示混合的外消旋或对映纯二对映异构体或纯外消旋或对映纯二对映异构体。这些化合物是金属配合物的优秀手性配体，用作对手性选择性催化剂，用于对不对称有机化合物的氢化。