4-heptyl benzoate | 88733-72-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-heptyl benzoate
• 英文别名: benzoic acid-(1-propyl-butyl ester)；Benzoesaeure-(1-propyl-butylester)；4-Heptyl benzoic acid；heptan-4-yl benzoate
• CAS: 88733-72-6
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: BLOIJLVOSUULSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (1-Propyl-butoxymethyl)-benzene 在 sodium periodate 、 四氧化钌 作用下， 以 四氯化碳 、 水 、 乙腈 为溶剂， 以89%的产率得到4-heptyl benzoate
  参考文献：
  名称：

  一种氧化去除苄基醚的简便方法：四氧化钌将苄基醚氧化为苯甲酸酯

  摘要：

  已经制备了一系列苄基醚，并且已经研究了它们被四氧化钌氧化为苯甲酸酯的方法。氧化步骤的产率为54％至96％。

  DOI：

  10.1016/s0040-4039(00)94286-2

文献信息

• Colorant compounds
  申请人：Banning H. Jeffrey

  公开号：US20060020141A1

  公开（公告）日：2006-01-26

  Compounds of the formula wherein M is either (1) a metal ion having a positive charge of +y wherein y is an integer which is at least 2, said metal ion being capable of forming a compound with at least two chromogen moieties, or (2) a metal-containing moiety capable of forming a compound with at least two chromogen moieties, z is an integer representing the number of chromogen moieties associated with the metal and is at least 2, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , a, b, c, d, Y, and z are as defined herein, Q − is a COO − group or a SO 3 — group, A is an organic anion, and CA is either a hydrogen atom or a cation associated with all but one of the Q − groups.

  式中的化合物，其中M是一个带有正电荷+y的金属离子，其中y是至少为2的整数，该金属离子能够与至少两个色团基团形成化合物，或者M是一个含金属基团的基团，能够与至少两个色团基团形成化合物，z是表示与金属相关的色团基团数量的整数，至少为2，R1、R2、R3、R4、R5、R6、R7、a、b、c、d、Y和z的定义如上所述，Q-是一个COO-基团或SO3-基团，A是一个有机阴离子，CA是一个氢原子或与除一个Q-基团之外的所有Q-基团相关联的阳离子。
• PALLADIUM-CATALYZED DOUBLE CARBONYLATION REACTIONS OF ARYL HALIDES AFFORDING α-KETO ESTERS
  作者：Fumiyuki Ozawa、Nobuo Kawasaki、Takakazu Yamamoto、Akio Yamamoto

  DOI：10.1246/cl.1985.567

  日期：1985.5.5

  Various aryl iodides can be converted into α-keto esters in reactions with carbon monoxide and alcohols in the presence of tertiary amines and catalytic amounts of tertiary phosphine-coordinated palladium complexes.

  多种芳基碘化物可在三烷基胺及少量三烷基膦配位的钯络合物催化下，与一氧化碳和醇反应生成α-酮酯。
• ANOMALOUS ORIENTATIONAL EFFECTS DURING BENZOYLOXYLATIONS BY “SILVER BROMIDE DIBENZOATE”
  作者：Derek Bryce-Smith、Neil S. Isaacs、Seddeg O. Tumi

  DOI：10.1246/cl.1984.1471

  日期：1984.9.5

  formed from bromine and silver benzoate reacts with both arenes and alkanes to form aryl and alkyl benzoates, respectively. Highly unusual substituent effects are observed in the benzoyloxylations of arenes. Electron-withdrawing groups (e.g. –NO2, –CN, –CO–) on the aromatic ring facilitate reaction though directing the attacking reagent exclusively to the meta position. In alkanes, tertiary positions are

  由溴和苯甲酸银形成的固体络合物分别与芳烃和烷烃反应形成芳基苯甲酸酯和烷基苯甲酸酯。在芳烃的苯甲酰氧基化中观察到非常不寻常的取代基效应。芳环上的吸电子基团（例如–NO2、–CN、–CO–）通过将攻击试剂专门导向间位来促进反应。在烷烃中，三级位置最容易受到攻击。
• ACYLATION REACTION OF HYDROXYL GROUP
  申请人：Mashima Kazushi

  公开号：US20100249422A1

  公开（公告）日：2010-09-30

  Disclosed is a selective ester production process of an alcoholic hydroxyl group, which proceeds under chemically mild conditions, while having adequate environmental suitability, operability and economical efficiency. Specifically disclosed is a process for producing an ester compound, which is characterized in that an alcohol and a carboxylic acid ester compound are reacted in the presence of a compound containing zinc element, thereby selectively acylating a hydroxyl group of the alcohol.

  公开了一种选择性酯化醇羟基的生产过程，该过程在化学上温和的条件下进行，同时具有足够的环境适应性、操作性和经济效益。具体公开了一种生产酯化合物的方法，其特征在于，在含锌元素的化合物存在下，将醇和羧酸酯化合物反应，从而选择性地酰化醇的羟基。
• BENZOBIS(THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME
  申请人：UBE Industries, Ltd.

  公开号：EP3181569A1

  公开（公告）日：2017-06-21

  An object of the present invention is to provide a benzobis(thiadiazole) derivative, which has an excellent mobility of electron (field-effect mobility) and also has an excellent stability in the atmosphere. The present invention relates to a benzobis(thiadiazole) derivative or the like, which has cyclic imide structures annelated to an aromatic ring in the molecule, represented by the following general formula (1) or (2) wherein R, A and Z represent predetermined groups.

  本发明的目的是提供一种苯并双(噻二唑)衍生物，它具有优异的电子迁移率(场效应迁移率)，在大气中也具有优异的稳定性。本发明涉及一种苯并双(噻二唑)衍生物或类似物，其分子中的环状亚胺结构与芳香环环化，由下式通式(1)或(2)表示，其中 R、A 和 Z 代表预定基团。