4,5-二甲基-1,3-二恶烷 | 1779-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 4,5-二甲基-1,3-二恶烷
• 英文名称: 4,5-dimethyl-[1,3]dioxane
• 英文别名: 4,5-Dimethyl-[1,3]dioxan；4,5-Dimethyl-1,3-dioxan；4,5-Dimethyl-1,3-dioxane
• CAS: 1779-22-2
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: YMXZGCMNTIZHDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4,5-二甲基-1,3-二恶烷 、 甲醇 在 硫酸 作用下， 生成 2-甲基丁烷-1,3-二醇
  参考文献：
  名称：

  Farberow; Schemjakina, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 2749,2752;engl.Ausg.S.3061,3063

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 2-丁烯 在 硫酸 、 水 作用下， 生成 4,5-二甲基-1,3-二恶烷
  参考文献：
  名称：

  Farberow et al., Zhurnal Obshchei Khimii, 1957, vol. 27, p. 2806,2813, 2814; engl. Ausg. S.2841, 2847, 2848

  摘要：

  DOI：

文献信息

• [EN] FUNGICIDAL PYRAZOLES<br/>[FR] PYRAZOLES FONGICIDES
  申请人：DU PONT

  公开号：WO2015171392A1

  公开（公告）日：2015-11-12

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q1, X, R1, R1a, R2 and R3, are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  公开了Formula 1的化合物，包括所有的几何和立体异构体、N-氧化物和盐，其中Q1、X、R1、R1a、R2和R3如本公开中所定义。还公开了含有Formula 1化合物的组合物和用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。
• Bicyclic Pyrrole Derivatives
  申请人：Nakahira Hiroyuki

  公开号：US20080318922A1

  公开（公告）日：2008-12-25

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkyl group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或两者的药物可接受盐作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改进的化合物：(I)其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似物；A1是C(R4)或类似物；A2是氮原子或类似物；R1是氢原子、可选取代烷基或类似物；R2是氢原子、可选取代烷基或类似物；R3是氢原子、卤原子或类似物；R4是氢原子、羟基、卤原子或类似物；Y是由通式(A)或类似物表示的基团；(A)[其中m1为0、1、2或3；基团(A)可以从R6中释放或用一个或两个R6替代，它们各自独立地是卤原子或类似物。]
• Bicycle pyrazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070082908A1

  公开（公告）日：2007-04-12

  A compound represented by the following formula (I), a prodrug thereof, or a pharmaceutically acceptable salt of either. These are compounds having high DPP-IV inhibitory activity and improved in safety, nontoxicity, etc. (I) [In the formula, R 1 represents hydrogen, optionally substituted alkyl, etc.; the solid line and dotted line between A 1 and A 2 indicate a double bond (A 1 =A 2 ), etc.; A 1 represents a group represented by the formula C(R 2 ), etc.; A 2 represents a group represented by the formula C(R 4 ), etc.; R 2 represents hydrogen, optionally substituted alkyl, etc.; R 4 represents hydrogen, optionally substituted alkyl, etc.; R 6 represents hydrogen, optionally substituted aryl, etc.; and —Y represents, e.g.; a group represented by the formula (A): (A) (wherein m1 is 0, 1, 2, or 3; and R 7 is absent, or one or two R 7 's are present and each independently represents optionally substituted alkyl, etc.).]

  以下化合物的公式（I）或其前药，或者是任何一种药学上可接受的盐。这些化合物具有高DPP-IV抑制活性和改善安全、无毒性等特点。（I）[在公式中，R1代表氢，可选取代的烷基等；A1和A2之间的实线和虚线表示双键（A1=A2），等等；A1代表由公式C（R2）等表示的基团；A2代表由公式C（R4）等表示的基团；R2代表氢，可选取代的烷基等；R4代表氢，可选取代的烷基等；R6代表氢，可选取代的芳基等；而—Y代表例如由公式（A）表示的一个基团：（A）（其中m1为0、1、2或3；R7不存在，或者存在一个或两个R7，每个独立地代表可选取代的烷基等）。]
• Novel condensed imidazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070105890A1

  公开（公告）日：2007-05-10

  Disclosed is a compound represented by the formula (1) below which has a high DPP-IV inhibitory activity and is improved in safety, toxicity and the like. Also disclosed is a prodrug of such a compound and pharmaceutically acceptable salts of them. (In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like; R 2 and R 3 independently represent a hydrogen atom, an optionally substituted alkyl group or the like; R 4 and R 5 independently represent a hydrogen atom, an optionally substituted alkyl group or the like: R 6 represents a hydrogen atom, an optionally substituted aryl group or the like; and —Y—NH 2 , represents a group represented by the following formula (A): (wherein m is 0, 1 or 2; and R 7 may not exist or one or two R 7 may exist and independently represent an optionally substituted alkyl group or the like) or the like.]

  公开了一种化合物，其表示为以下式（1），具有较高的DPP-IV抑制活性并且在安全性、毒性等方面得到改善。还公开了这种化合物的前药和它们的药学上可接受的盐。（在该式中，R1表示氢原子，可选择性取代的烷基或类似物; R2和R3独立地表示氢原子，可选择性取代的烷基或类似物; R4和R5独立地表示氢原子，可选择性取代的烷基或类似物：R6表示氢原子，可选择性取代的芳基或类似物; 而—Y—NH2表示由以下式（A）表示的基团：（其中m为0、1或2；而R7可能不存在或一个或两个R7可能存在且独立地表示可选择性取代的烷基或类似物）或类似物。）
• TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES
  申请人：Witschel Matthias

  公开号：US20070197393A1

  公开（公告）日：2007-08-23

  Tricyclic benzoylpyrazole derivatives of the formula I where: X is oxygen, sulfur, S═O, S(═O) 2 , CR 6 R 7 , NR 8 or a bond; Y together with the two carbons to which it is attached forms a saturated, partially saturated or unsaturated 5- or 6-membered heterocycle; R 1 , R 2 , R 6 , R 7 are hydrogen, alkyl, haloalkyl, alkoxy or haloalkoxy; R 3 is halogen, alkyl, haloalkyl, alkoxy or haloalkoxy; R 4 is hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl, haloalkylsulfonyl, unsubstituted or substituted aminosulfonyl or unsubstituted or substituted sulfonylamino; R 5 is hydrogen, alkyl or halogen; l is 0, 1 or 2; R 8 is hydrogen, alkyl, haloalkyl, alkylcarbonyl, formyl, alkoxycarbonyl, haloalkoxycarbonyl, alkylsulfonyl or haloalkylsulfonyl; R 9 is substituted pyrazol-4-ylcarbonyl or substituted 5-oxopyrazolin-4-ylmethylidene; and their agriculturally useful salts; processes and intermediates for preparing the tricyclic benzoylpyrazole derivatives; compositions comprising them and the use of these derivatives or of the compositions comprising them for controlling undesirable plants are described.

  化合物I的三环苯甲酰吡唑衍生物的公式为：其中：X是氧、硫、S═O、S（═O）2、CR6R7、NR8或键；Y与其连接的两个碳原子形成饱和、部分饱和或不饱和的5-或6元杂环；R1、R2、R6、R7为氢、烷基、卤代烷基、烷氧基或卤代烷氧基；R3为卤素、烷基、卤代烷基、烷氧基或卤代烷氧基；R4为氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷基硫基、卤代烷基硫基、烷基亚磺酰基、卤代烷基亚磺酰基、烷基磺酰基、卤代烷基磺酰基、未取代或取代的氨基磺酰基或未取代或取代的磺酰胺基；R5为氢、烷基或卤素；l为0、1或2；R8为氢、烷基、卤代烷基、烷基羰基、甲酰基、烷氧羰基、卤代烷氧羰基、烷基磺酰基或卤代烷基磺酰基；R9为取代的吡唑-4-基羰基或取代的5-氧代吡唑-4-基甲基亚胺基；以及它们的农业有用盐；描述了制备这些三环苯甲酰吡唑衍生物的过程和中间体；包含它们的组合物以及使用这些衍生物或包含它们的组合物来控制不良植物的用途。

表征谱图