(2,3-二氢-苯并[1,4]二噁英-6-基)-肼 | 299165-45-0

• 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: (2,3-二氢-苯并[1,4]二噁英-6-基)-肼
• 英文名称: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine
• 英文别名: 3,4-ethylenedioxyphenylhydrazine；(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-hydrazine
• CAS: 299165-45-0
• 化学式: C₈H₁₀N₂O₂
• mdl: MFCD02663068
• 分子量: 166.18
• InChiKey: XNBYAELTACACSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  (2,3-二氢-苯并[1,4]二噁英-6-基)-肼 、 (Z)-3-bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one 在 溶剂黄146 作用下， 以63%的产率得到1-(1,4-benzodioxan-6-yl)-4-bromo-5-trifluoromethyl-1H-pyrazole
  参考文献：
  名称：

  Regioselective synthesis of 1-aryl-4-bromo-5-trifluoromethylpyrazoles

  摘要：

  一种新颖的1-芳基-4-溴-5-三氟甲基吡唑的位点选择性合成路线涉及芳基肼与3-溴-4-乙氧基-1,1,1-三氟丁-3-烯-2-酮的反应。

  DOI：

  10.1007/s11172-006-0233-z

文献信息

• [EN] TRICYCLIC PYRAZOL AMINE DERIVATIVES<br/>[FR] DÉRIVÉS TRICYCLIQUES DE PYRAZOLAMINE
  申请人：MERCK SERONO SA

  公开号：WO2011058149A1

  公开（公告）日：2011-05-19

  This invention relates to compounds of Formula (I*) as Pi3k inhibitors for treating autoimmune diseases, inflammatory disorders, multiple sclerosis and other diseases like cancers.

  这项发明涉及到 Formula (I*) 的化合物作为 Pi3k 抑制剂，用于治疗自身免疫疾病、炎症性疾病、多发性硬化等疾病，以及癌症等其他疾病。
• [EN] PYRIDAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIDAZINONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010063610A1

  公开（公告）日：2010-06-10

  The present invention is concerned with novel pyridazinone derivatives of formula (I) wherein R1, R2, R3 and R4 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as medicaments.

  本发明涉及一种新颖的吡啶并嗪酮衍生物，其化学式为（I），其中R1、R2、R3和R4如描述和权利要求中所定义，并且其生理上可接受的盐和酯。这些化合物抑制PDE10A，可用作药物。
• HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES
  申请人：Alberati Daniela

  公开号：US20100216793A1

  公开（公告）日：2010-08-26

  The present invention is concerned with novel pyridazinone derivatives of formula (I) wherein R 1 , R 2 , R 3 and R 4 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as pharmaceuticals.

  本发明涉及具有如下式（I）的新型吡啶并嗪酮衍生物，其中R1、R2、R3和R4如描述和索赔中所定义，并且其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作药物。
• Novel N'-acylated phenyl-hydrazine and hydrozone derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US03974145A1

  公开（公告）日：1976-08-10

  Novel indolylacetic acid derivatives, which have excellent anti-inflammatory, antipyretic and analgesic activities, represented by the formula, ##SPC1## Wherein X.sub.1 and X.sub.2 each is a member selected from the group consisting of oxygen and methylene; A is a member selected from the group consisting of unsubstituted saturated hydrocarbon chain having up to 5 carbon atoms, unsubstituted unsaturated hydrocarbon chain having up to 5 carbon atoms and substituted saturated or substituted ethylenically unsaturated hydrocarbon chain having up to 5 carbon atoms, in which the substituents are selected from the group consisting of halogen or phenyl, the hydrocarbon chain being straight or blanched one; m is 0 or 1; n is 1 or 2; R.sub.1 and R.sub.2 each is a member selected from the group consisting of hydrogen and alkyl having up to 4 carbon atoms; R.sub.3 is a member selected from the group consisting of alkyl having up to 4 carbon atoms, unsubstituted or a lower alkyl-, lower alkoxy-, lower alkylthio-, nitro-, cyano-, methylenedioxy-, ethylenedioxy- or halogen-substituted aryl, each of said alkyl, alkoxy and alkylthio substituents containing up to 4 carbon atoms, or unsubstituted, or halogen-, alkyl- or phenyl-substituted or benzene ring-condensed, saturated or unsaturated mono- or poly-aclicyclic group, or alkyl group substituted by said alicyclic group, or unsubstituted or methyl-, ethyl- or halogen-substituted 5- or 6-membered heterocyclic ring group containing oxygen, sulfur or nitrogen atom; R.sub.4 is a member selected from the group consisting of alkyl having up to 4 carbon atoms or hydrogen, or a group of M (wherein M is a cation). The indolylacetic acid of the formula (I) is prepared by reacting a compound of the formula, ##SPC2## Wherein X.sub.1, X.sub.2 and n are the same as defined above and B is a member selected from the group consisting of ##EQU1## and Z (wherein Z is a nitrogen protecting system comprising at least one readily removable group), with an acid halide represented by the formula, R.sub.3 --(A).sub.m --CO--hal (V) wherein R.sub.3, A and m are the same as defined above and hal is halogen, to obtain N.sup.1 -acylated compound of the formula, ##SPC3## Wherein X.sub.1, X.sub.2, R.sub.3, A, B, m and n are the same as defined above, then reacting the resultant N.sup.1 -acylated compound (II) with an aliphatic acid derivative represented by the formula, ##EQU2## wherein R.sub.1, R.sub.2 and R.sub.4 are the same as defined above.

  新颖的吲哚乙酸衍生物具有出色的抗炎、退热和镇痛活性，其化学式如下：##SPC1## 其中X.sub.1和X.sub.2分别为氧和亚甲基中的一种；A为未取代的饱和碳链、未取代的不饱和碳链或取代的饱和或不饱和碳链，含有最多5个碳原子，取代基为卤素或苯基，碳链为直链或支链；m为0或1；n为1或2；R.sub.1和R.sub.2分别为氢或最多含有4个碳原子的烷基；R.sub.3为最多含有4个碳原子的烷基、未取代或较低烷基、较低烷氧基、较低烷硫基、硝基、氰基、亚甲二氧基、乙二氧基或卤素取代的芳基中的一种，烷基、烷氧基和烷硫基取代基含有最多4个碳原子，或未取代、卤素取代、烷基取代或苯基取代的苯环缩合、饱和或不饱和单环或多环脂环族，或被脂环族取代的烷基，或未取代、甲基取代、乙基取代或卤素取代的含氧、硫或氮原子的5-或6-成员杂环环族；R.sub.4为最多含有4个碳原子的烷基或氢，或M（其中M为阳离子）的一种。化学式（I）的吲哚乙酸通过将化合物与化合物反应制备而成：##SPC2## 其中X.sub.1、X.sub.2和n与上述定义相同，B为下列组成员之一：##EQU1## 和Z（其中Z为至少含有一个易于去除基团的氮保护体系），与化学式所代表的酸卤反应：R.sub.3--(A).sub.m--CO--hal（V）其中R.sub.3、A和m与上述定义相同，hal为卤素，得到化合物的N.sup.1-酰化产物：##SPC3## 其中X.sub.1、X.sub.2、R.sub.3、A、B、m和n与上述定义相同，然后将所得的N.sup.1-酰化产物（II）与下列化合物反应：##EQU2## 其中R.sub.1、R.sub.2和R.sub.4与上述定义相同。
• Novel n'-acylated phenyl-hydrazine and -hydrazone derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04060550A1

  公开（公告）日：1977-11-29

  Indolylacetic acid derivatives, which have excellent anti-inflammatory, antipyretic and analgesic activities, represented by the formula, ##STR1## wherein X.sub.1 and X.sub.2 are each methylene; A is an unsubstituted ethylenically unsaturated hydrocarbon chain having up to 5 carbon atoms; m is 0 or 1; n is 1 or 2; R.sub.3 is alkyl having up to 4 carbon atoms; cycloalkyl having 3 to 7 carbon atoms, unsubstituted or C.sub.1 -C.sub.4 alkyl-, nitro-, trifluoromethyl-, methylenedioxy-, ethylenedioxy- or halogen-substituted phenyl, or halogen-, C.sub.1 -C.sub.4 alkyl- or phenyl-substituted or benzene ring-condensed C.sub.3 -C.sub.7 cycloalkyl, or unsubstituted or halogen-, C.sub.1 -C.sub.4 alkyl- or phenyl-substituted or benzene ring-condensed C.sub.5 -C.sub.6 cycloalkenyl; and B is ##STR2## .

  这段文字是关于具有优异的抗炎、退烧和镇痛活性的吲哚乙酸衍生物的描述，其化学式为 ##STR1## 其中X1和X2均为亚甲基；A是未取代的具有5个碳原子以下的乙烯基不饱和碳氢链；m为0或1；n为1或2；R3是具有4个碳原子以下的烷基；具有3到7个碳原子的环烷基，未取代或取代于C1-C4烷基、硝基、三氟甲基、亚甲二氧基、乙二氧基或卤素的苯基，或取代于卤素、C1-C4烷基或苯基的或苯环共轭的C3-C7环烷基，或未取代或取代于卤素、C1-C4烷基或苯基的或苯环共轭的C5-C6环烯基；B为 ##STR2## 。