6-氯二氮杂萘-1(2H)-酮 | 57835-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 6-氯二氮杂萘-1(2H)-酮
• 中文别名: 6-氯酞嗪-1-醇
• 英文名称: 6-chlorophthalazine-1(2H)-one
• 英文别名: 6-chlorophthalazin-1(2H)-one；6-chloro-2H-phthalazin-1-one；6-Chlor-2H-phthalazin-1-on；6-chloro-1-phthalazinone；6-Chlor-1-phthalazinon；6-Chlorophthalazin-1-ol；6-chloro-2H-phthalazin-1-one
• CAS: 57835-96-8
• 化学式: C₈H₅ClN₂O
• 分子量: 180.593
• InChiKey: XDECIMXTYLBMFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  272.2-273.5 °C
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  6-氯二氮杂萘-1(2H)-酮 在 一水合肼 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 1.33h， 生成 6-chloro-1-hydrazinophthalazine
  参考文献：
  名称：

  Tarzia; Occelli; Corsico, Il Farmaco, 1989, vol. 44, # 1, p. 17 - 28

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲酰基-4-氯苯甲酸 在 一水合肼 作用下， 生成 6-氯二氮杂萘-1(2H)-酮
  参考文献：
  名称：

  制备一些酞嗪及相关物质。

  摘要：

  DOI：

  10.1021/ja01211a063

文献信息

• Phthalazine, aza- and diaza-phthalazine compounds and methods of use
  申请人：Tasker Andrew

  公开号：US20060199817A1

  公开（公告）日：2006-09-07

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , B, R 1 , R 2 , R 3 and R 4 are defined herein. The invention also comprises pharmaceutical compositions including one or more compounds of Formula I, uses of such compounds and compositions for treatment of kinase mediated diseases including rheumatoid arthritis, psoriasis and other inflammation disorders, as well as intermediates and processes useful for the preparation of compounds of Formula I.

  本发明包括一类新的化合物，用于预防和治疗蛋白激酶介导的疾病，包括炎症及相关状况。这些化合物的通用公式为I 其中A 1 ，A 2 ，B，R 1 ，R 2 ，R 3 和R 4 在此定义。该发明还包括包括一个或多个I公式化合物的药物组合物，以及使用这些化合物和组合物治疗激酶介导的疾病，包括类风湿性关节炎，银屑病和其他炎症性疾病，以及用于制备I公式化合物的中间体和工艺。
• Novel developing agents for (photo) thermographic systems
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0681210A1

  公开（公告）日：1995-11-08

  A thermographic element comprising in a non-aqueous binder medium a silver salt oxidising agent in reactive association with a compound comprising a plurality of redox colour releasing moieties such that oxidation of each redox colour releasing moiety causes release from said compound of a thermally diffusible dye. The compounds many of which are new incorporate two or more developer moieties into a single molecule to minimise the diffusibility of the compound. Following oxidation, either directly by the silver salt or by means of a cross-oxidising agent, each oxidised developer moiety releases a thermally diffusible dye. The compounds are of sufficient size and molecular weight to slow or prevent diffusion in imaging systems and yet possess several active developer moieties per molecule which is advantageous over known ballasted dye releasers which comprise bulky molecules with only a single developer moiety.

  一种热成像元素，包括在非水性粘合剂介质中，一种银盐氧化剂与含有多个氧化还原色释放基团的化合物反应地结合，使得每个氧化还原色释放基团的氧化引起所述化合物中的热扩散染料的释放。这些化合物中的许多是新的，将两个或更多的显影剂基团结合到一个分子中，以减少化合物的扩散性。在氧化后，通过银盐直接氧化或通过交叉氧化剂，每个氧化的显影剂基团释放出一个热扩散染料。这些化合物足够大且具有足够的分子量，以在成像系统中减慢或阻止扩散，但每个分子中具有多个活性显影剂基团，这比已知的只包含单个显影剂基团的笨重分子的配重染料释放剂更具优势。
• Rhodium(III)-Catalyzed C–H Functionalization of 1-(2<i>H</i>)-Phthalazinones at C8
  作者：Malcolm P. Huestis

  DOI：10.1021/acs.joc.6b02522

  日期：2016.12.16

  The rhodium(III) catalyst tris(acetonitrile)pentamethylcyclopentadienylrhodium(III) hexafluoroantimonate ([Cp*Rh(MeCN)3](SbF6)2) reacts with 1-(2H)-phthalazinones to promote a C–H functionalization event at C8. Preparation of a set of compounds arising from oxidative alkenylation with olefins, hydroarylation with alkynes, and iodination with N-iodosuccinimide is reported here. Oxidative alkenylation

  铑（III）催化剂六氟锑酸三（乙腈）五甲基环戊二烯基铑（III）（[Cp * Rh（MeCN）3 ]（SbF 6）2）与1-（2 H）-邻苯二氮酮反应以促进C H功能化事件的发生C8。在此报道了一组由烯烃的氧化烯基化，与炔烃的加氢芳基化以及与N-碘代琥珀酰亚胺的碘化反应产生的化合物的制备。氧化烯基化反应的收率很高，并讨论了氢化芳基化和卤化反应的范围和局限性。值得注意的是，该策略能够快速制备C8取代的邻苯二氮酮，而无需从预官能化的芳烃开始合成邻苯二氮酮环。
• Regioselective Functionalization of Chlorophthalazine Derivatives
  作者：Paul Knochel、François Crestey

  DOI：10.1055/s-0029-1219231

  日期：2010.4

  Chlorophthalazines were efficiently metalated using tmpZnCl˙LiCl under microwave irradiation. This provided novel substituted phthalazine derivatives after subsequent trapping of the resulting organometallic reagents with various electrophiles. Moreover, Negishi cross-coupling reactions have been performed affording new polyfunctionalized phthalazine scaffolds in very good yields.

  氯代苯氮杂环在微波辐射下有效地进行了金属化，使用了tmpZnCl·LiCl。随后与各种电亲核试剂捕获反应，得到了新型取代的苯氮杂环衍生物。此外，Negishi交叉偶联反应也已执行，产生了新的多功能化苯氮杂环骨架，并且产率非常好。
• Process for producing phthalazinone and derivatives of the same
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04096143A1

  公开（公告）日：1978-06-20

  1-PHTHALAZINONE AND 1-PHTHALAZINONE DERIVATIVES OF THE FOLLOWING FORMULA: ##STR1## wherein R.sup.1 represents a hydrogen atom, an alkyl group, an aralkyl group, an acyloxyl group, an alkoxyl group, a halogen atom, a nitro group, an amino group or an amido group; and R.sup.2 represents a hydrogen atom, an alkyl group or an aryl group. Such can be prepared at good yields by the reaction of a benzoic acid derivative of the following formula: ##STR2## wherein R.sup.1 has the same meanings as defined above; X represents a halogen atom; and Y represents a hydroxyl group, an alkoxyl group or a halogen atom; with hydrazine or a hydrazine derivative of the following formula: R.sup.2 -- NH -- NH.sub.2 (III) wherein R.sup.2 has the same meanings as defined above.

  邻二氮杂环己酮和以下结构的邻二氮杂环己酮衍生物：其中R.sup.1代表氢原子、烷基、芳基烷基、酰氧基、烷氧基、卤原子、硝基、氨基或酰胺基；R.sup.2代表氢原子、烷基或芳基。可通过以下结构的苯甲酸衍生物与肼或以下结构的肼衍生物反应，以良好收率制备：其中R.sup.1具有与上述定义相同的含义；X代表卤原子；Y代表羟基、烷氧基或卤原子。