phenyl 2,2-dimethylbutanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: phenyl 2,2-dimethylbutanoate
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: QNXBBLNSCUJYJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  2,2-二甲基丁酸 在 吡啶 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 phenyl 2,2-dimethylbutanoate
  参考文献：
  名称：

  使用 Ni-光氧化还原催化从烷烃直接形成 C-C 键

  摘要：

  通过镍和光氧化还原催化，实现了未活化的 C(sp3)-H 键和氯甲酸酯之间直接交叉偶联的方法。多种原料化学品，例如 (a) 环烷烃和甲苯，以及后期中间体，仅使用 3 当量的 CH 伙伴，在温和条件下形成分子间 CC 键即可生成酯。位点选择性是根据键强度和极性趋势来预测的，这与氯自由基作为氢原子抽象物种的中间作用一致。

  DOI：

  10.1021/jacs.8b09191

文献信息

• [EN] FRAGRANCE AND FLAVOR MATERIALS<br/>[FR] MATÉRIAUX DE PARFUM ET D'ARÔME
  申请人：TAKASAGO INT CORPORATION USA

  公开号：WO2018119466A1

  公开（公告）日：2018-06-28

  The present disclosure is directed to the synthesis and application of undecavertol derivatives having unique and desired flavor and/or fragrant characteristics. The compounds of the present disclosure can be employed alone or incorporated as fragrance or flavor ingredients in fragrance or flavor compositions. The present disclosure is also directed to consumer products comprising such derivatives and/or fragrance or flavor compositions.

  本公开涉及合成和应用具有独特和理想风味和/或芳香特性的十一萜醇衍生物。本公开的化合物可以单独应用，也可以作为香精或风味成分并入香精或风味配方中。本公开还涉及包含这些衍生物和/或香精或风味配方的消费者产品。
• [EN] FRAGRANCE MATERIAL<br/>[FR] MATIÈRE PARFUMANTE
  申请人：TAKASAGO INT CORPORATION (USA)

  公开号：WO2017214455A1

  公开（公告）日：2017-12-14

  Fragrance compounds having a unique chemical structure are provided, including esters and ethers of 3-cyclohexenyl methanol and derivatives thereof. The fragrance compounds can have multi-faceted odors. The fragrance compounds can be used alone or incorporated into a fragrance composition and/or consumer product to modify or enhance the odor of the fragrance composition and/or consumer product.

  提供具有独特化学结构的香料化合物，包括3-环己烯甲醇及其衍生物的酯和醚。这些香料化合物可以具有多方面的气味。这些香料化合物可以单独使用，也可以加入到香料组合物和/或消费品中，以改变或增强香料组合物和/或消费品的气味。
• [EN] FRAGRANCE AND FLAVOR MATERIALS<br/>[FR] MATI ÈRES DE PARFUM ET D'ARÔME
  申请人：TAKASAGO INT CORPORATION USA

  公开号：WO2018119471A1

  公开（公告）日：2018-06-28

  The present disclosure is directed to the synthesis and application of ethyl linalool derivatives having unique and desired flavor and/or fragrance characteristics. The compounds of the present disclosure can be employed alone or incorporated as fragrance or flavor ingredients in fragrance or flavor compositions. The present disclosure is also directed to consumer products comprising such derivatives and/or fragrance or flavor compositions.

  本公开涉及合成和应用具有独特和理想风味和/或香味特性的乙基香叶醇衍生物。本公开的化合物可以单独使用，也可以作为香味或风味成分纳入香味或风味组合物中。本公开还涉及包含这种衍生物和/或香味或风味组合物的消费者产品。
• METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE
  申请人：API Corporation

  公开号：US20160083341A1

  公开（公告）日：2016-03-24

  According to the present invention, it becomes possible to perform a process for converting into an α-substituted cysteine represented by general formula (1) or a salt thereof at low cost and on an industrial scale by employing a process that is routed through a compound represented by general formula (3) to a compound represented by general formula (6). Particularly, by employing a process that is routed through a compound represented by general formula (7-2), it becomes possible to detach a tert-butyl protection group in a simple manner and to produce the compound represented by general formula (1) with high purity. Furthermore, by employing a process that is routed through tert-butylthiomethanol or a process that is routed through a compound represented by general formula (9), it becomes possible to produce a compound represented by general formula (2) without generating bischloromethylether that is an oncogenic substance. In the production of an α-substituted-D-cysteine or a salt thereof, it becomes possible to perform a process for converting the compound represented by general formula (2) into a compound represented by general formula (3S) in one step by allowing an enzyme or the like to act on the compound represented by general formula (2).

  根据本发明，通过采用经由一种化合物（通式（3）表示）到一种通式（6）表示的化合物的过程，可以以低成本和工业化规模进行将其转化为通式（1）表示的α-取代半胱氨酸或其盐的过程。特别是，通过采用经由一种通式（7-2）表示的化合物的过程，可以简单地去除叔丁基保护基，并以高纯度生产通式（1）表示的化合物。此外，通过采用经由叔丁基硫代甲醇或经由一种通式（9）表示的化合物的过程，可以生产通式（2）表示的化合物，而不产生致癌物质双氯甲醚。在生产α-取代-D-半胱氨酸或其盐时，可以通过允许酶或类似物作用于通式（2）表示的化合物，一步将其转化为通式（3S）表示的化合物。
• RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND
  申请人：Tokyo Ohka Kogyo Co., Ltd.

  公开号：US20140221673A1

  公开（公告）日：2014-08-07

  A resist composition including a base component (A) which exhibits changed solubility in a developing solution under action of acid and an acid-generator component (B) which generates acid upon exposure, the base component (A) containing a polymeric compound (A1) having a structural unit (a5) represented by general formula (a5-0) shown below (R 1 represents a sulfur atom or an oxygen atom; R 2 represents a single bond or a divalent linking group; and Y represents an aromatic hydrocarbon group or an aliphatic hydrocarbon group having a polycyclic group, provided that the aromatic hydrocarbon group or the aliphatic hydrocarbon may have a carbon atom or a hydrogen atom thereof substituted with a substituent.

  一种抗蚀组合物，包括基础组分（A），在酸的作用下在显影溶液中表现出改变的溶解性，以及在暴露后生成酸的酸发生器组分（B），基础组分（A）包含具有下述通用式（a5-0）所示的结构单元（a5）的聚合物化合物（A1）（R1代表硫原子或氧原子；R2代表单键或二价连接基团；Y代表芳香烃基团或具有多环基团的脂肪烃基团，前提是芳香烃基团或脂肪烃基团可以有其中的碳原子或氢原子被取代的取代基）。