3-heptynal | 101011-78-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-heptynal
• 英文别名: hept-3-ynal；Hept-3-inal；Hept-3-ynal
• CAS: 101011-78-3
• 化学式: C₇H₁₀O
• 分子量: 110.156
• InChiKey: JFUMOWMYMUYMDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-heptynal 、 甲基溴化镁 以 乙醚 为溶剂， 反应 1.0h， 生成 、 4-undecyn-2-ol
  参考文献：
  名称：

  Photochemical Synthesis of 3-Alkynals from 1-Alkynoxy-9,10-anthraquinones

  摘要：

  Photolysis of 1-(3-alkynoxy)-9,10-anthraquinones in deoxygenated methanol leads to moderate yields (35-45%) of 3-alkynals along with the unexpected formation of diacetals. Reaction of these 3-alkynals with Grignard and Wittig reagents occurs nearly quantitatively without rearrangement to their 2,3-dienal isomers.

  DOI：

  10.1021/jo900298y
• 作为产物：
  描述：

  Heptin-(3)-al-(1)-diethylacetal 生成 3-heptynal
  参考文献：
  名称：

  Durand,M.H., Bulletin de la Societe Chimique de France, 1961, p. 2396 - 2401

  摘要：

  DOI：

文献信息

• [EN] NITROGEN-CONTAINING HETEROCYCLIC COMPOUND<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013018929A1

  公开（公告）日：2013-02-07

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula (1) wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型的化合物，作为一种ERR-α调节剂具有优越的活性，并可作为预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由公式(1)表示的化合物，其中每个符号如说明书中所定义，或其盐。
• THIAZOLE DERIVATIVE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2530078A1

  公开（公告）日：2012-12-05

  Provided is a compound having an agonist action on GPR52, which is useful as a prophylactic or therapeutic drug for mental diseases such as schizophrenia and the like, and the like. A compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  提供了一种对GPR52具有激动剂作用的化合物，该化合物可作为预防或治疗精神疾病如精神分裂症等的药物。一种由以下通式（I）表示的化合物：其中各个符号的定义如说明书中所述，或其盐形式。
• [EN] HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION POUR LE TRAITEMENT DE LA TURBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2016031255A1

  公开（公告）日：2016-03-03

  It is an object of the present invention to provide a compound having an excellent antibacterial activity against tuberculosis bacteria, multidrug-resistant tuberculosis bacteria and/or non-tuberculous mycobacteria. Disclosed is a compound of the general formula (1): wherein each symbol is defined as described in the attached specification, or a salt thereof.

  本发明的目的是提供一种具有优异的抗结核菌、多药耐药结核菌和/或非结核分枝杆菌抗菌活性的化合物。公开的是一种一般式（1）的化合物：其中每个符号如附表规定的那样定义，或其盐。
• [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。
• NOVEL 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF
  申请人：HAEUPLER Bernhard

  公开号：US20170179525A1

  公开（公告）日：2017-06-22

  The problem addressed was that of providing novel polymers which are preparable with a low level of complexity, with the possibility of controlled influence on the physicochemical properties thereof within wide limits in the course of synthesis, and which are usable as active media in electrical charge storage elements for high storage capacity, long lifetime and stable charging/discharging plateaus. 9,10-Bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene polymers consisting of an oligomeric or polymeric compound of the general formula I have been found.

  所解决的问题是提供可用于高储存容量、长寿命和稳定充放电平台的电荷储存元件的活性介质的新型聚合物，其制备复杂度低，并且在合成过程中可以对其物理化学性质进行广泛控制。已发现由一般式I的寡聚物或聚合物化合物组成的9,10-双(1,3-二硫代-2-亚甲基)-9,10-二氢蒽聚合物。