6-甲基-4H-1,3-苯并二氧杂环己烷 | 76663-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 6-甲基-4H-1,3-苯并二氧杂环己烷
• 英文名称: 6-Methyl-4H-benzo[1,3]dioxin
• 英文别名: 6-methyl-4H-1,3-benzodioxine
• CAS: 76663-29-1
• 化学式: C₉H₁₀O₂
• 分子量: 150.177
• InChiKey: AMZLAOHBQRCFQR-UHFFFAOYSA-N

物化性质

• 熔点：
  39-40 °C
• 沸点：
  253.7±19.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 对甲酚 在 水 、 草酸 作用下， 155.0 ℃ 、784.47 kPa 条件下， 生成 6-甲基-4H-1,3-苯并二氧杂环己烷
  参考文献：
  名称：

  Substituted benzodioxanes

  摘要：

  公开号：

  US02789985A1

文献信息

• Triazolone derivatives
  申请人：Clark Richard

  公开号：US20080015199A1

  公开（公告）日：2008-01-17

  A Compound represented by the following general formula (1), salts thereof or hydrates of the foregoing is a novel compound useful for treatment and/or prevention of diseases associated with thrombus formation, and which is safer with suitable physicochemical stability. [wherein R 1a , R 1b , R 1c and R 1d each independently represent hydrogen, etc.; R 2 represents optionally substituted phenyl, etc.; R 3 represents optionally substituted C6-10 aryl, etc.; and Z 1 and Z 2 each independently represent hydrogen]

  以下一般式（1）表示的化合物，其盐或上述化合物的水合物是一种新型化合物，可用于治疗和/或预防与血栓形成相关的疾病，并且具有适当的物理化学稳定性，更安全。 [其中R1a，R1b，R1c和R1d分别独立表示氢等；R2表示可选择取代的苯基等；R3表示可选择取代的C6-10芳基等；Z1和Z2分别独立表示氢]
• [EN] HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES<br/>[FR] FONGICIDES D'AZOLYL BENZÈNE SUBSTITUÉ PAR HÉTÉROBICYCLE
  申请人：DU PONT

  公开号：WO2011059619A1

  公开（公告）日：2011-05-19

  Disclosed are compounds of Formula 1, including all stereoisomers, N oxides, and salts thereof, wherein Y is a 5-membered, fully or partially unsaturated heterocyclic ring containing 2-4 carbon atoms and 2-3 nitrogen atoms as ring members, the ring substituted with Z on a ring member atom connected through an adjacent single ring member atom to the ring member atom attaching the heterocyclic ring to the phenyl ring of Formula 1, and optionally further substituted with up to 2 substituents independently selected from R5 on carbon atom ring members and from R6 on nitrogen atom ring members; Z is an 8-, 9-, 10- or 11-membered fused heterobicyclic ring system containing ring members selected from carbon atoms and 1 to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, wherein up to 3 carbon atom ring members are independently selected from C(=O) and C(=S), and the sulfur atom ring members are independently selected from S(=O)u(=NR7)z, the ring system optionally substituted with substituents independently selected from R8 on carbon atom ring members and from R9 on nitrogen atom ring members; and R1, R2, R3, R4, R5, R6, R7, R8, R9, u and z 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.

  公开的是Formula 1的化合物，包括所有立体异构体、N-氧化物和盐，其中Y是一个5元的、完全或部分不饱和的杂环环，含有2-4个碳原子和2-3个氮原子作为环成员，该环在通过相邻的单环成员原子连接到将杂环环连接到Formula 1的苯环上的环成员原子上与Z取代，并且可选地进一步取代最多2个取代基，独立地从碳原子环成员上的R5和氮原子环成员上的R6中选择；Z是一个8、9、10或11元的融合杂双环环系统，其中环成员从碳原子和1到4个异原子中独立选择，这些异原子最多选择2个O、最多2个S和最多4个N原子，其中最多3个碳原子环成员独立选择自C(=O)和C(=S)，硫原子环成员独立选择自S(=O)u(=NR7)z，环系统可选地取代取代基，独立地从碳原子环成员上的R8和氮原子环成员上的R9中选择；以及R1、R2、R3、R4、R5、R6、R7、R8、R9、u和z如披露中所定义。还公开了含有Formula 1的化合物的组合物以及用于控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。
• Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof
  申请人：Bourrie Bernard

  公开号：US20070167469A1

  公开（公告）日：2007-07-19

  The disclosure concerns pyrido[2,3-d]pyrimidine derivatives, their preparation and their therapeutic application, of general formula (I) and acid addition salts, hydrates and solvates thereof, as well as in the form of enantiomers, diastereoisomers and mixtures thereof. The disclosure also concerns methods for preparing said derivatives, pharmaceutical compositions containing a compound of general formula (I), and their therapeutic use.

  该公开涉及吡啶并[2,3-d]嘧啶衍生物，它们的制备以及它们的治疗应用，通式为(I)和其酸盐、水合物和溶剂化合物，以及对映体、异构体和它们的混合物形式。该公开还涉及制备上述衍生物的方法，含有通式(I)化合物的药物组合物，以及它们的治疗用途。
• C-ARYL GLUCOSIDE DERIVATIVE, PREPARATION METHODS THEREOF, AND MEDICAL APPLICATIONS THEREOF
  申请人：JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD.

  公开号：US20160222047A1

  公开（公告）日：2016-08-04

  C-aryl glucoside derivatives, preparation methods thereof, and medical applications thereof are described. Specifically, compounds represented by formula I, and, tautomers, enantiomers, diastereomers, racemates, and pharmaceutically acceptable salts of the compounds, preparation methods thereof, pharmaceutical compositions containing the compounds, and applications thereof are described. Compounds of formula (I) are useful as therapeutic agents, and particularly as sodium-dependent glucose contransporter protein (SGLT) inhibitors.

  本文描述了C-芳基葡萄糖苷衍生物，其制备方法以及医药应用。具体而言，描述了由式I表示的化合物，以及该化合物的互变异构体、对映体、非对映体、拉卡酯和药学上可接受的盐，其制备方法，含有该化合物的药物组合物以及其应用。式(I)的化合物可用作治疗剂，特别是作为钠依赖葡萄糖共转运蛋白（SGLT）抑制剂。
• ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS
  申请人：Technische Universität Darmstadt

  公开号：EP3875151A1

  公开（公告）日：2021-09-08

  The present invention relates to alpha-methyl substituted diazabicyclo-[4.3.1]-decane derivatives and stereo-isomeric forms, solvates, hydrates and/or pharmaceutically acceptable salts of these compounds as well as pharmaceutical compositions containing at least one of these alpha-methyl bicyclic aza-amides derivatives together with pharmaceutically acceptable carrier, excipient and/or diluents. Said alpha-methyl substituted diazabicyclo-[4.3.1]-decane derivatives have been identified as especially potent inhibitors of the FK506 binding proteins (FKBPs), especially FKBP12, FKBP12.6, FKBP51 and FKBP52 or bacterial homologs like LpMIP, CpMIP or CtMIP, to and are useful for the psychiatric, metabolic, infective, neurological and hematologial disorders as well as pain diseases and cancers.

  本发明涉及α-甲基取代的二氮杂双环[4.3.1]-癸烷衍生物及其立体异构体、溶剂化合物、水合物和/或这些化合物的药学上可接受的盐，以及含有至少一种这些α-甲基双环氮酰胺衍生物的药物组合物，连同药学上可接受的载体、赋形剂和/或稀释剂。所述的α-甲基取代的二氮杂双环[4.3.1]-癸烷衍生物已被确定为FK506结合蛋白（FKBPs）特别有效的抑制剂，特别是FKBP12、FKBP12.6、FKBP51和FKBP52或细菌同源物如LpMIP、CpMIP或CtMIP，并且对于精神疾病、代谢疾病、感染性疾病、神经学疾病、血液学疾病以及疼痛疾病和癌症是有用的。