Hex-2-enyl hydrogen carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: Hex-2-enyl hydrogen carbonate
• 英文别名: hex-2-enyl hydrogen carbonate
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: BKEHDQGVMYFYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Enantioselective amination and etherification
  申请人：Hartwig F John

  公开号：US20060199728A1

  公开（公告）日：2006-09-07

  The present invention is directed to a catalyst composition, comprising: (1) a catalyst precursor having the general structure MSX n wherein M is a transition metal selected from the group consisting of iridium, molybdenum, and tungsten; S is a coordinating ligand; X is a counterion; and n is an integer from 0 to 5; and (2) a phosphoramidite ligand having the structure wherein O—C n —O is an aliphatic or aromatic diolate and wherein R 1 , R 2 , R 3 and R 4 are selected from the group consisting of substituted or unsubstituted aryl groups, substituted or unsubstituted heteroaryl groups, substituted or unsubstituted aliphatic groups, and combinations thereof, with the proviso that at least one of R 1 , R 2 , R 3 , or R 4 must be a substituted or unsubstituted aryl or heteroaryl group. The present invention is also directed to activated catalysts made from the above catalyst composition, as well as methods of allylic amination and etherification using the above catalysts.

  本发明涉及一种催化剂组合物，包括：（1）具有一般结构MSXn的催化剂前体，其中M是从铱、钼和钨组成的过渡金属中选择的；S是一个配位配体；X是一个计数离子；n是从0到5的整数；以及（2）具有以下结构的磷酰胺配体，其中O-Cn-O是脂肪族或芳香族二醇，其中R1、R2、R3和R4选自取代或未取代的芳基基团、取代或未取代的杂环基团、取代或未取代的脂肪基团和它们的组合，但至少有一个R1、R2、R3或R4必须是取代或未取代的芳基或杂环基团。本发明还涉及由上述催化剂组合物制备的活性催化剂，以及使用上述催化剂进行烯丙基胺化和醚化的方法。
• 4-ACYLAMINOPYRAZOLE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1329160A2

  公开（公告）日：2003-07-23

  A 4-acylaminopyrazole derivative represented by the following general formula: wherein R1 is a hydrogen atom, an optionally substituted C1-C16 alkyl group or the like,    R2 and R3 are independently a hydrogen atom, a halogen atom, an optionally substituted C1-C6 alkyl group or the like, R4 is a hydrogen atom, a C1-C6 alkyl group or a cyano group, Z is an oxygen atom or a sulfur atom, Ar is an optionally substituted C6-C14 aryl group or an optionally substituted 5-6 membered unsaturated heterocyclic group, B is a hydrogen atom, a halogen atom, an optionally substituted C1-C16 alkyl group or the like.

  由以下通式代表的 4-酰氨基吡唑衍生物： 其中 R1 是氢原子、任选取代的 C1-C16 烷基或类似基团、 R2 和 R3 独立地为氢原子、卤素原子、任选取代的 C1-C6 烷基或类似基团、 R4 是氢原子、C1-C6 烷基或氰基、 Z 是氧原子或硫原子、 Ar 是任选取代的 C6-C14 芳基或任选取代的 5-6 位元不饱和杂环基团、 B 是氢原子、卤素原子、任选取代的 C1-C16 烷基或类似基团。
• [EN] USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：WO1993011669A1

  公开（公告）日：1993-06-24

  (DE) Verwendung von 3-Phenylurazil-Derivaten (I) mit R1 = H, Alkyl, Halogenalkyl, Formyl, Alkanoyl, Alkenyl oder Alkinyl; R2 = über -O-, -O-CO-, -O-CS- oder -O-SO2- gebundene Gruppe, -CO-NR7R8 oder -CO-R9 (R7-R9 vgl. Beschreibung); R3 = Halogen oder CN; R4 = H oder Halogen; R5 = H, Halogen oder Alkyl; R6 = Alkyl oder Halogenalkyl; oder R5+R6 = Tri- oder Tetramethylen, sowie die Enolether derjenigen Verbindungen (I), in denen R1 C1-C4-Alkyl, C2-C5-Alkenyl oder C3-C5-Alkinyl bedeutet, es sei denn, R2 = über -O-SO2- gebundene Gruppe oder -CO-O-CH2-CH2-ON=C(R12,R13) mit R12 und R13 = C1-C4-Alkyl, sowie die landwirtschaftlich brauchbaren Salze und Enolether derjenigen Verbindungen der Formel (I), in denen R1 = Wasserstoff, zur Desikkation und Abszission von Pflanzenorganen.(EN) The invention concerns the use, for the desiccation and abscission of plant organs, of 3-phenyluracil derivatives of the formula (I), in which R1 = H, alkyl, haloalkyl, formyl, alkanoyl, alkenyl or alkinyl; R2 = -CO-NR7R8 or -CO-R9 (in which R7 to R9 are as defined in the description) or a group bound by -O-, -O-CO-, -O-CS- or -O-SO2-; R3 = halogen or CN; R4 = H or halogen; R5 = H, halogen or alkyl and R6 = alkyl or haloalkyl or R5 + R6 = tri- or tetramethylene; as well as the enol ethers of such compounds of formula (I) in which R1 is C1-C4 alkyl, C2-C5 alkenyl or C3-C5 alkinyl provided that R2 = -CO-O-CH2-CH2-ON=C(R12,R13) (in which R12 and R13 = C1-C4 alkyl) or a group bound by -O-SO2-, as well as the agriculturally useful salts and enol ethers of such compounds of formula (I) in which R1 = hydrogen.(FR) Utilisation de dérivés de 3-phénylurazile de formule (I) dans laquelle R1 = H, alkyle, halogéno-alkyle, formyle, alcanoyle, alcényle ou alkinyle; R2 = groupe lié par l'intermédiaire de -O-, -O-CO-, -O-CS- ou -O-SO2-, -CO-NR7R8 ou -CO-R9 (R7-R9: voir description); R3 = halogène ou CN; R4 = H ou halogène; R5 = H, halogène ou alkyle; R6 = alkyle ou halogèno-alkyle; ou R5 + R6 = tri- ou tétraméthylène, ainsi que les éthers énoliques des composés(I), dans lesquels R1 désigne un alkyle en C1-C4, un alcényle en C2-C5 ou un alkinyle en C3-C5, à condition que R2 = groupe lié par l'intermédiaire de -O-SO2- ou -CO-O-CH2-ON=C(R12,R13) où R12 et R13 = alkyle en C1-C4, ainsi que les sels et éthers énoliques, utilisables en agriculture, des composés de formule (I), dans lesquels R1 = hydrogène, pour la dessiccation et l'éxcision d'organes végétaux.

  Die Verwendung von 3-Phenyluracil-Derivaten (I) mit R1 = H, Alkyl, Haloalkyl, Formyl, Alkanoyl, Alkenyl oder Alkinyl; R2 = über -O-, -O-CO-, -O-CS- ou -O-SO2- gebundene Gruppe, -CO-NR7R8 ou -CO-R9 (wobei R7 bis R9 wie im Beschreibung genannt werden); R3 =卤素 oder CN; R4 = H oder卤素; R5 = H,卤素 oder Alkyl und R6 = Alkyl oder Haloalkyl oder R5+R6 = tri- oder Tetramethylen; sowie die Enolether der Martinezungen (I), in denen R1 ein C1-C4-Alkyl, C2-C5-Alkenyl oder C3-C5-Alkinyl ist, falls R2 = über -O-SO2- gebundene Gruppe oder -CO-O-CH2- -ON=C(R12,R13) mit R12 und R13 = C1-C4-Alkyl, sowie die landwirtschaftlich brauchbaren Salze und Enolether der Martinezungen der Formel (I), in denen R1 = Wasserstoff, zur Desikkation und Entzinnung von Pflanzenorganien.
• US7732365B2
  申请人：——

  公开号：US7732365B2

  公开（公告）日：2010-06-08
• [EN] ENANTIOSELECTIVE AMINATION AND ETHERIFICATION___________________<br/>[FR] AMINATION ET ETHERIFICATION ENANTIOSELECTIVE
  申请人：UNIV YALE

  公开号：WO2004024684A2

  公开（公告）日：2004-03-25

  The present invention is directed to a catalyst composition, comprising: (1) a catalyst precursor having the general structure MSXn wherein M is a transition metal selected from the group consisting of iridium, molybdenum, and tungsten; S is a coordinating ligand; X is a counterion; and n is an integer from 0 to 5; and (2) a phosphoramidite ligand having the structure wherein O-Cn-O is an aliphatic or aromatic diolate and wherein R1, R2, R3 and R4 are selected from the group consisting of substituted or unsubstituted aryl groups, substituted or unsubstituted heteroaryl groups, substituted or unsubstituted aliphatic groups, and combinations thereof, with the proviso that at least one of R1, R2, R3, or R4 must be a substituted or unsubstituted aryl or heteroaryl group. The present invention is also directed to activated catalysts made from the above catalyst composition, as well as methods of allylic amination and etherification using the above catalysts.