trans-Hept-3-en-1-al | 21662-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-Hept-3-en-1-al
• 英文别名: trans-Hepten-4-al；trans-2-hexenaldehyde；hept-3t-enal；3-Heptenal；(E)-hept-3-enal
• CAS: 21662-18-0；89896-73-1；21662-20-4
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: ORAQCSKNITWHDW-SNAWJCMRSA-N

物化性质

• 熔点：
  -53.35°C (estimate)
• 沸点：
  160.13°C (estimate)
• 密度：
  0.8510
• LogP：
  2.257 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  4
• 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：

  trans-Hept-3-en-1-al 在 氢气 作用下， 以 异丙醇 为溶剂， 129.84 ℃ 、3.0 MPa 条件下， 反应 2.0h， 以85%的产率得到反式-2-已烯-1-醇
  参考文献：
  名称：

  氢氧化铝负载镍锡合金催化剂的新制备方法：在不饱和羰基化合物化学选择性加氢中的应用

  摘要：

  一种新方法用于制备 NiSn 合金催化剂，该催化剂用于不饱和羰基化合物的化学选择性加氢，几乎只生产不饱和醇。NiSn合金的形成可能在增强化学选择性方面发挥了关键作用

  DOI：

  10.1246/cl.2012.769
• 作为产物：
  描述：

  (E)-庚-3-烯酸 在 lithium aluminium tetrahydride 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 trans-Hept-3-en-1-al
  参考文献：
  名称：

  Influence of the Chemical Structure on Odor Qualities and Odor Thresholds in Homologous Series of Alka-1,5-dien-3-ones, Alk-1-en-3-ones, Alka-1,5-dien-3-ols, and Alk-1-en-3-ols

  摘要：

  Odor qualities and odor thresholds in air in homologous series of synthesized alk-1-en-3-ols and alka-1,5-dien-3-ols and their corresponding ketones were evaluated by gas chromatography-olfactometry. In the series of the alk-1-en-3-ols and alk-1-en-3-ones the odor quality changed successively from pungent for the compounds with five carbon atoms via metallic, vegetable-like for the six- and seven-carbon odorants to mushroom-like for the compounds with eight and nine carbon atoms. With further increase in chain length the mushroom-like impression decreased and changed to citrus-like, soapy, or herb-like. In both series, two odor threshold minima were found for the six-carbon and also for the eight- and nine-carbon odorants, respectively. In contrast to this, the odor qualities in the series of the (Z)- and (E)-alka-1,5-dien-3-ols and their corresponding ketones did not change significantly with geranium-like, metallic odors and an increasing mushroom-like odor note with increasing chain length. The lowest thresholds were found for the eight- and nine-carbon (Z)-compounds, respectively.

  DOI：

  10.1021/jf404885j

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。
• NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20150372349A1

  公开（公告）日：2015-12-24

  The present invention provides a nonaqueous electrolytic solution capable of improving electrochemical characteristics in the case of using an energy storage device at a high temperature and further capable of inhibiting the gas generation as well as a capacity retention rate after a high-temperature cycle, and also to provide an energy storage device using the same. Disclosed are a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a phenyl ester compound represented by the following general formula (I), and an energy storage device. (In the formula, R f represents a fluoroalkyl group having 1 to 6 carbon atoms; X represents a halogen atom; each of p and q is an integer of 1 to 4; and (p+q) is 5 or less. A has a structure represented by —S(═O) 2 —, —C(═O)—, —C(═O)—O—, —C(═O)-L 1 -C(═O)—, —C(═O)-L 2 -P(═O)(OR)—O—, or —P(═O)(OR)—O—. Y represents a fluorine atom, a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group; L 1 represents an alkylene group, an alkenylene group, an alkynylene group, or a direct bond; L 2 represents an alkylene group; and R represents an alkyl group. However, only when A is —S(═O) 2 —, Y may be a fluorine atom; and only when A is —C(═O)—, Y may be a hydrogen atom. At least one hydrogen atom in each group of the aforementioned alkyl group, alkenyl group, alkynyl group, aryl group, alkylene group, alkenylene group, and alkynylene group may be substituted with a halogen atom.)

  本发明提供了一种非水电解质溶液，能够在高温下使用能量存储装置时改善电化学特性，并且在高温循环后能够抑制气体生成以及保持容量保留率，还提供了使用该非水电解质溶液的能量存储装置。所述非水电解质溶液包含溶解在非水溶剂中的电解质盐，该非水电解质溶液包含下述通式（I）所代表的苯酯化合物，以及能量存储装置。（在该式中，Rf代表具有1至6个碳原子的氟烷基；X代表卤素原子；p和q中的每一个是1至4的整数；以及（p+q）不超过5。A具有由—S(═O)2—、—C(═O)—、—C(═O)—O—、—C(═O)-L1-C(═O)—、—C(═O)-L2-P(═O)(OR)—O—或—P(═O)(OR)—O—表示的结构。Y代表氟原子、氢原子、烷基、烯基、炔基或芳基；L1代表烷基、烯基、炔基或直链键；L2代表烷基；R代表烷基。但是，仅当A为—S(═O)2—时，Y可以是氟原子；仅当A为—C(═O)—时，Y可以是氢原子。上述烷基、烯基、炔基、芳基、烷基、烯基和炔基中的每一组中至少一个氢原子可以被卤素原子取代。）
• 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。
• An anomalous case of diastereofacial selectivity in the addition of chiral allylstannanes to benzaldehyde: is the “inside alkoxy” effect involved?
  作者：Benjamin W. Gung、Andrew J. Peat、Barbara M. Snook、Daniel T. Smith

  DOI：10.1016/s0040-4039(00)79466-4

  日期：1991.1

  The “inside alkosy” effect has been found to be important in the addition of α-(alkoxy) allylstannanes to aldehydes in the presence of BF3·Et2O.

  发现在BF 3 ·Et 2 O存在的情况下，向醛中添加α-（烷氧基）烯丙基锡烷酸酯时，“内部烷氧基”效应很重要。