2-ethyl-pent-4-ynoic acid | 134773-05-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-ethyl-pent-4-ynoic acid
• 英文别名: 2-ethylpent-4-ynoic acid；2-Aethyl-pent-4-insaeure；2-Ethyl-4-pentynoic acid
• CAS: 134773-05-0
• 化学式: C₇H₁₀O₂
• 分子量: 126.155
• InChiKey: SCVQTLFYEQFSLX-UHFFFAOYSA-N

物化性质

• 沸点：
  216.8±23.0 °C(Predicted)
• 密度：
  1.026±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-ethyl-pent-4-ynoic acid 生成 ethyl 2-ethylpent-4-ynoate
  参考文献：
  名称：

  Colonge; Gelin, Bulletin de la Societe Chimique de France, 1954, p. 797

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2-ethyl-2-(1-propyn-3-yl)malonate 在 氢氧化钾 作用下， 生成 2-ethyl-pent-4-ynoic acid
  参考文献：
  名称：

  Colonge; Gelin, Bulletin de la Societe Chimique de France, 1954, p. 797

  摘要：

  DOI：

文献信息

• Method for producing anellated tetrahydro-{1h}-triazoles
  申请人：——

  公开号：US20040097728A1

  公开（公告）日：2004-05-20

  The present invention relates to a process for preparing fused tetrahydro-[ 1 H]-triazoles of the formula I 1 where the variables R a , Z, Z 1 , X, W, n and Q are as defined in claim 1, by cyclization of compounds of the formula II 2 where R is C(X)OR 2 or C(X)SR 2 , where X is oxygen or sulfur, and R 2 is as defined in claim 1, in the presence of a base. The invention also relates to compounds of the formula I where W is sulfur if Z is a methylene group optionally substituted by R a , and furthermore to compounds of the formula I where Q is a benzoxazole or benzothiazole radical, and to the use of these compounds as herbicides.

  本发明涉及一种制备公式I的熔融四氢咪唑的方法，其中变量Ra、Z、Z1、X、W、n和Q如权利要求1中定义，通过在碱存在下，将公式II的化合物环化得到，其中R为C(X)OR2或C(X)SR2，其中X为氧或硫，R2如权利要求1中定义。该发明还涉及公式I的化合物，其中如果Z是可选地由Ra取代的亚甲基基团，则W为硫，此外还涉及公式I的化合物，其中Q为苯并噁唑或苯并噻唑基团，并将这些化合物用作除草剂。
• [EN] 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS<br/>[FR] COMPOSÉS 4-(4-PYRIMIDYL)-BENZAMIDES ET UTILISATION DE CEUX-CI COMME MODULATEURS DE L'ACTIVITÉ DE KINASES RHO (ROCK)
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2009027392A1

  公开（公告）日：2009-03-05

  The present invention relates to novel 4-(4-pyridyl)-benzamides of the formula (I). The compounds I possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of Rho kinases (ROCKs). R1 and R2 are, independently of each other, hydrogen, hydroxy, cyano, C1-C8-alkyl, C1- C8-haloalkyl, C1-C8-alkoxy or C1-C8-haloalkoxy; R3, R4, R5 and R6 are, independently of each other, hydrogen, hydroxy, halogen, cyano, C1-C8-alkyl, C1-C8-haloalkyl, C1-C8-alkoxy, C1-C8-haloalkoxy, amino, C1-C8-alkylamino or di-(C1-C8-alkyl)-amino; R7 is hydrogen, C1-C8-alkyl, C1-C8-haloalkyl, aryl or aryl-C1-C8-alkyl; R8 is a group of the formula -X-W, where X is a single bond, C1-C4-alkylene or C1-C4-alkylene-O-, where the alkylene group in the three last-mentioned radicals may be linear or branched and may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or may be interrupted by an oxygen atom; and W is a cyclic radical selected from phenyl and a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring which contains as ring members 1, 2 or 3 heteroatoms selected from O, S and N and optionally 1 or 2 carbonyl groups; R9 is a group of the formula -Y-Z, where Z is hydrogen, halogen, OR11, NR12R13, S(O)m-R14, phenyl which may carry 1, 2, 3 or 4 substituents R15 or a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring; and Y is linear or branched C1C4-alkylene which may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or a phenyl ring; or, in case Z is phenyl or the 5- or 6-membered heterocyclic ring as defined above, Y can also be a single bond.

  本发明涉及公式（I）的新型4-(4-吡啶基)-苯甲酰胺。化合物I具有有价值的治疗性能，并且特别适用于治疗对Rho激酶（ROCKs）调节产生反应的疾病。R1和R2分别为氢、羟基、氰基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基或C1-C8-卤代烷氧基；R3、R4、R5和R6分别为氢、羟基、卤素、氰基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基、C1-C8-卤代烷氧基、氨基、C1-C8-烷基氨基或二(C1-C8-烷基)-氨基；R7为氢、C1-C8-烷基、C1-C8-卤代烷基、芳基或芳基-C1-C8-烷基；R8为-X-W的基团，其中X为单键、C1-C4-烷基或C1-C4-烷基-O-，在上述最后三个基团中的烷基可以是直链或支链，可以部分或完全卤代，和/或可以被羟基取代，和/或可以被氧原子打断；W为选择自苯基和含有1、2或3个来自O、S和N的杂原子以及可选地包含1或2个羰基的5-或6-成员饱和、部分不饱和或芳香杂环的环基；R9为-Y-Z的基团，其中Z为氢、卤素、OR11、NR12R13、S(O)m-R14、可能携带1、2、3或4个取代基R15的苯基或5-或6-成员饱和、部分不饱和或芳香杂环的环基；Y为线性或支链的C1-C4-烷基，可以部分或完全卤代，和/或可以被羟基取代，和/或可以是苯环；或者，如果Z为苯基或上述定义的5-或6-成员杂环环，Y也可以是单键。
• 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS
  申请人：Mack Helmut

  公开号：US20100273828A1

  公开（公告）日：2010-10-28

  The present invention relates to novel 4-(4-pyridyl)-benzamides of the formula (I). The compounds I possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of Rho kinases (ROCKs). R 1 and R 2 are, independently of each other, hydrogen, hydroxy, cyano, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy or C 1 -C 8 -haloalkoxy; R 3 , R 4 , R 5 and R 6 are, independently of each other, hydrogen, hydroxy, halogen, cyano, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy, C 1 -C 8 -haloalkoxy, amino, C 1 -C 8 -alkylamino or di-(C 1 -C 8 -alkyl)-amino; R 7 is hydrogen, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, aryl or aryl-C 1 -C 8 -alkyl; R 8 is a group of the formula —X—W, where X is a single bond, C 1 -C 4 -alkylene or C 1 -C 4 -alkylene-O—, where the alkylene group in the three last-mentioned radicals may be linear or branched and may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or may be interrupted by an oxygen atom; and W is a cyclic radical selected from phenyl and a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring which contains as ring members 1, 2 or 3 heteroatoms selected from O, S and N and optionally 1 or 2 carbonyl groups; R 9 is a group of the formula —Y—Z, where Z is hydrogen, halogen, OR 11 , NR 12 R 13 , S(O) m —R 14 , phenyl which may carry 1, 2, 3 or 4 substituents R 15 or a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring; and Y is linear or branched C 1 C 4 -alkylene which may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or a phenyl ring; or, in case Z is phenyl or the 5- or 6-membered heterocyclic ring as defined above, Y can also be a single bond.

  本发明涉及式(I)的新型4-(4-吡啶基)-苯甲酰胺化合物。化合物I具有有价值的治疗性能，特别适用于治疗对Rho激酶（ROCKs）调节有反应的疾病。其中，R1和R2分别独立地为氢、羟基、氰基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基或C1-C8卤代烷氧基；R3、R4、R5和R6分别独立地为氢、羟基、卤素、氰基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8卤代烷氧基、氨基、C1-C8烷基氨基或二-(C1-C8烷基)-氨基；R7为氢、C1-C8烷基、C1-C8卤代烷基、芳基或芳基-C1-C8烷基；R8为公式-X-W的基团，其中X为单键、C1-C4-烷基或C1-C4-烷基-O-，其中上述三种基团中的烷基基团可以是直链或支链并且可以部分或完全卤代和/或可以被羟基取代和/或可以被氧原子中断；W为从苯基和一个含有1、2或3个从O、S和N中选择的杂原子和可选地1或2个羰基的5-或6-成员饱和、部分不饱和或芳香杂环环中选择的环状基团；R9为公式-Y-Z的基团，其中Z为氢、卤素、OR11、NR12R13、S(O)m-R14、可以携带1、2、3或4个取代基R15的苯基或5-或6-成员饱和、部分不饱和或芳香杂环环；Y为线性或支链的C1-C4-烷基，可以部分或完全卤代和/或可以被羟基和/或苯环取代；或者，如果Z为上述定义的苯基或5-或6-成员杂环环，则Y也可以是单键。
• Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using GSK3 inhibitors: III
  申请人：Frequency Therapeutics, Inc.

  公开号：US10016507B2

  公开（公告）日：2018-07-10

  The present invention relates to compositions and methods of inducing the self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into hair cells.

  本发明涉及诱导干/祖支持细胞自我更新的组合物和方法，包括诱导干/祖细胞增殖，同时保持子细胞分化成毛细胞的能力。
• Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery
  申请人：WASEDA UNIVERSITY

  公开号：US10164258B2

  公开（公告）日：2018-12-25

  A fused-ring quinone-substituted polynorbornene has recurring units of formula (1) and/or (2) below. In formulas (1) and (2), A1 is independently a substituent of formula (3) or (4) below, n is an integer from 1 to 6, and A2 is a substituent of formula (5) or (6) below. In formulas (3) to (6), each X is independently a single bond or a divalent group, and Ar1 and Ar2 are each independently an aromatic hydrocarbon ring or an oxygen atom or sulfur atom-containing aromatic heterocycle that forms together with two carbon atoms on a benzoquinone skeleton. This polymer has charge-storing properties and, when used as an electrode active material, is capable of providing a high-performance battery possessing high capacity, high rate characteristics and high cycle characteristics.

  融合环醌代聚降冰片烯具有下式（1）和/或（2）的重复单元。 在式(1)和(2)中，A1 独立地是下式(3)或(4)的取代基，n 是 1 至 6 的整数，A2 是下式(5)或(6)的取代基。 在式(3)至式(6)中，每个 X 独立地为单键或二价基团，Ar1 和 Ar2 独立地为芳香烃环或与苯醌骨架上的两个碳原子共同形成的含氧原子或硫原子的芳香杂环。这种聚合物具有电荷储存特性，用作电极活性材料时，能够提供具有高容量、高倍率特性和高循环特性的高性能电池。