(S)-4-(4-bromophenoxy)methyl-2,2,4-trimethyl-1,3-dioxolane | 1318735-13-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-4-(4-bromophenoxy)methyl-2,2,4-trimethyl-1,3-dioxolane
• 英文别名: (4S)-4-[(4-bromophenoxy)methyl]-2,2,4-trimethyl-1,3-dioxolane
• CAS: 1318735-13-5
• 化学式: C₁₃H₁₇BrO₃
• 分子量: 301.18
• InChiKey: LVQTVSBGNQDRKU-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-4-(4-bromophenoxy)methyl-2,2,4-trimethyl-1,3-dioxolane 、 4-[4-(三氟甲氧基)苯氧基]哌啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 三正丁胺 、 potassium hydroxide 作用下， 以 xylene 为溶剂， 反应 8.0h， 生成 (S)-4-[4-(trifluoromethoxy)phenoxy]-1-{4-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methoxy]phenyl}piperidine
  参考文献：
  名称：

  [EN] SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME
  [FR] INTERMÉDIAIRE SYNTHÉTIQUE D'UN COMPOSÉ OXAZOLE ET PROCÉDÉ DE PRODUCTION ASSOCIÉ

  摘要：

  本发明的目的是提供一种高产率生产噁唑化合物的方法。该目的可以通过由式（11）表示的化合物实现：其中R1是氢原子或较低的烷基基团；R2是在4-位被取代的1-哌啶基团，所述取代基选自（A1a）苯氧基在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1b）苯氧基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷基基团，（A1c）苯基取代的较低烷氧基较低烷基基团在苯基上取代卤素，（A1d）苯基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1e）氨基取代的苯基取代一个或多个卤素取代的较低烷氧基团和较低烷基基团，以及（A1f）苯基取代的较低烷氧基团在苯基上取代一个或多个卤素取代的较低烷氧基团；n是1到6之间的整数；X3是有机磺酰氧基团。

  公开号：

  WO2011093529A1
• 作为产物：
  描述：

  (R)-3-(4-bromophenoxy)-2-methylpropane-1,2-diol 、 丙酮 在 对甲苯磺酸 作用下， 反应 5.5h， 以82%的产率得到(S)-4-(4-bromophenoxy)methyl-2,2,4-trimethyl-1,3-dioxolane
  参考文献：
  名称：

  [EN] SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME
  [FR] INTERMÉDIAIRE SYNTHÉTIQUE D'UN COMPOSÉ OXAZOLE ET PROCÉDÉ DE PRODUCTION ASSOCIÉ

  摘要：

  本发明的目的是提供一种高产率生产噁唑化合物的方法。该目的可以通过由式（11）表示的化合物实现：其中R1是氢原子或较低的烷基基团；R2是在4-位被取代的1-哌啶基团，所述取代基选自（A1a）苯氧基在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1b）苯氧基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷基基团，（A1c）苯基取代的较低烷氧基较低烷基基团在苯基上取代卤素，（A1d）苯基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1e）氨基取代的苯基取代一个或多个卤素取代的较低烷氧基团和较低烷基基团，以及（A1f）苯基取代的较低烷氧基团在苯基上取代一个或多个卤素取代的较低烷氧基团；n是1到6之间的整数；X3是有机磺酰氧基团。

  公开号：

  WO2011093529A1

文献信息

• NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR
  申请人：Abe Koji

  公开号：US20120301797A1

  公开（公告）日：2012-11-29

  The present invention provides an excellent nonaqueous electrolytic solution capable of improving low-temperature and high-temperature cycle properties and load characteristics after high-temperature charging storage, an electrochemical element using it, and an alkynyl compound used for it. The nonaqueous electrolytic solution of the present invention comprises containing at least one alkynyl compound represented by the following general formula (I) in an amount of from 0.01 to 10% by mass in the nonaqueous electrolytic solution. R 1 (O) n —X 1 —R 2 (I) (In the formula, X 1 represents a group —C(═O)—, a group —C(═O)—C(═O)—, a group —S(═O) 2 —, a group —P(═O) (—R 3 )—, or a group —X 2 —S(═O) 2 O—. R 1 represents an alkenyl group, a formyl group, an alkyl group, an acyl group, an arylcarbonyl, an alkanesulfonyl group, an alkynyloxysulfonyl group, an arylsulfonyl group, a dialkylphosphoryl group, an alkyl(alkoxy)phosphoryl group, or a dialkoxyphosphoryl group; R 2 represents an alkynyl group or an alkynyloxy group; R 3 represents an alkyl group, an alkenyl group, an alkynyl group, an aryl group, an alkoxy group, an alkenyloxy group, an alkynyloxy group, or an aryloxy group; n indicates 0 or 1.

  本发明提供了一种优秀的非水电解质溶液，能够改善低温和高温循环性能以及高温充电存储后的负载特性，以及使用它的电化学元件和用于它的炔基化合物。本发明的非水电解质溶液包括以下通式（I）表示的至少一种炔基化合物，其在非水电解质溶液中的质量分数为0.01至10%。R1（O）n—X1—R2（I）（在式中，X1表示基团—C(═O)—，基团—C(═O)—C(═O)—，基团—S(═O)2—，基团—P(═O)(—R3)—，或基团—X2—S(═O)2O—。R1表示烯基基团，甲酰基团，烷基基团，酰基团，芳基羰基，烷烷基磺酰基，炔氧基磺酰基，芳基磺酰基，二烷基磷酰基，烷基(烷氧基)磷酰基，或二烷氧基磷酰基；R2表示炔基团或炔氧基团；R3表示烷基，烯基，炔基，芳基，烷氧基，烯氧基，炔氧基，或芳氧基；n表示0或1。
• SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME
  申请人：Yamamoto Akihiro

  公开号：US20120302757A1

  公开（公告）日：2012-11-29

  An object of the present invention is to provide a method for producing an oxazole compound in a high yield. The object can be achieved by a compound represented by Formula (11): wherein R 1 is a hydrogen atom or lower-alkyl group; R 2 is a 1-piperidyl group substituted at the 4-position with a substituent selected from (A1a) a phenoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1b) a phenoxy-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkyl groups, (A1c) a phenyl-substituted lower-alkoxy lower-alkyl group substituted on the phenyl moiety with halogen, (A1d) a phenyl-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1e) an amino group substituted with a phenyl group substituted with one or more halogen-substituted lower-alkoxy groups, and a lower-alkyl group, and (A1f) a phenyl-substituted lower-alkoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups; n is an integer from 1 to 6; and X 3 is an organic sulfonyloxy group.

  本发明的目的是提供一种高产率制备噁唑化合物的方法。该目的可以通过式（11）表示的化合物实现：其中R1是氢原子或低烷基基团；R2是在4-位被取代的1-哌啶基团，所述取代基被选择自（A1a）在苯基上取代一个或多个卤素取代低烷氧基的苯氧基，（A1b）在苯基上取代一个或多个卤素取代低烷基的苯氧基取代低烷基基团，（A1c）在苯基上取代卤素的苯基取代低烷氧基低烷基基团，（A1d）在苯基上取代一个或多个卤素取代低烷氧基的苯基取代低烷基基团，（A1e）取代有苯基的氨基取代一个或多个卤素取代低烷氧基的苯基和低烷基基团，以及（A1f）在苯基上取代一个或多个卤素取代低烷氧基的苯基取代低烷氧基基团；n是1到6的整数；X3是有机磺酰氧基团。
• Synthetic intermediate of oxazole compound and method for producing the same
  申请人：Yamamoto Akihiro

  公开号：US08598358B2

  公开（公告）日：2013-12-03

  An object of the present invention is to provide a method for producing an oxazole compound in a high yield. The object can be achieved by a compound represented by Formula (11): wherein R1 is a hydrogen atom or lower-alkyl group; R2 is a 1-piperidyl group substituted at the 4-position with a substituent selected from (A1a) a phenoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1b) a phenoxy-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkyl groups, (A1c) a phenyl-substituted lower-alkoxy lower-alkyl group substituted on the phenyl moiety with halogen, (A1d) a phenyl-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1e) an amino group substituted with a phenyl group substituted with one or more halogen-substituted lower-alkoxy groups, and a lower-alkyl group, and (A1f) a phenyl-substituted lower-alkoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups; n is an integer from 1 to 6; and X3 is an organic sulfonyloxy group.

  本发明的目的是提供一种高产率合成噁唑化合物的方法。该目的可以通过公式（11）所表示的化合物实现：其中，R1是氢原子或低烷基基团；R2是在4位被取代的1-哌啶基团，所述取代基被选择自：（A1a）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯氧基；（A1b）苯基取代苯基部分上带有一种或多种卤素取代的低烷基取代基的苯氧基取代基；（A1c）苯基取代苯基部分上带有卤素的低烷氧基低烷基取代基的苯基取代基；（A1d）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯基取代基；（A1e）氨基取代一种带有一种或多种卤素取代的低烷氧基的苯基取代的苯基，以及一种低烷基基团；和（A1f）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯基取代基。n是1到6的整数；X3是有机磺酰氧基团。
• Non-aqueous electrolytic solution, electrochemical element using the same and alkynyl compound used therefor
  申请人：Ube Industries, Ltd.

  公开号：EP2883867A2

  公开（公告）日：2015-06-17

  The present invention provides an excellent nonaqueous electrolytic solution capable of improving low-temperature and high-temperature cycle properties and load characteristics after high-temperature charging storage, an electrochemical element using it, and an alkynyl compound used for it. The nonaqueous electrolytic solution of the present invention comprises at least one alkynyl compound represented by the following general formula (I) in an amount of from 0.01 to 10% by mass in the nonaqueous electrolytic solution.          R1(O)n-X1-R2     (I) In the formula, X1 represents a group -C(=O)-, a group -S(=O)2-, or a group -P(=O)(-R3)-. R1 represents an alkenyl group having from 2 to 8 carbon atoms; R2 represents an alkynyl group having from 3 to 8 carbon atoms or an alkynyloxy group having from 3 to 8 carbon atoms; R3 represents an alkyl group, an alkenyl group, an alkynyl group, an aryl group, an alkoxy group, an alkenyloxy group, an alkynyloxy group, or an aryloxy group; n indicates 0 or 1.

  本发明提供了一种能够改善低温和高温循环特性以及高温充电储存后负载特性的优良非水基电解溶液、使用该溶液的电化学元件以及用于该溶液的炔基化合物。 本发明的非水基电解溶液包含至少一种由下式通式（I）表示的炔基化合物，其在非水基电解溶液中的含量为 0.01 至 10%（按质量计）。 R1(O)n-X1-R2 (I) 式中，X1 代表基团-C(=O)-、基团-S(=O)2-或基团-P(=O)(-R3)-。R1 代表具有 2 至 8 个碳原子的烯基；R2 代表具有 3 至 8 个碳原子的炔基或具有 3 至 8 个碳原子的炔氧基；R3 代表烷基、烯基、炔基、芳基、烷氧基、烯氧基、炔氧基或芳氧基；n 表示 0 或 1。
• Meditopes and meditope-binding antibodies and uses thereof
  申请人：City of Hope

  公开号：US11246942B2

  公开（公告）日：2022-02-15

  Antibodies and meditopes that bind to the antibodies are provided, as well as complexes, compositions and combinations containing the meditopes and antibodies, and methods of producing, using, testing, and screening the same, including therapeutic and diagnostic methods and uses.

  提供了抗体和与抗体结合的中间位点，以及含有中间位点和抗体的复合物、组合物和组合物，以及生产、使用、测试和筛选这些复合物、组合物和组合物的方法，包括治疗和诊断方法及用途。