7-甲基萘-2-甲腈 | 38879-96-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-甲基萘-2-甲腈
• 英文名称: 7-methyl-2-naphthalene carbonitrile
• 英文别名: 2-cyano-7-methylnaphthalene；7-Methylnaphthalin-2-carbonitril；7-methylnaphthalene-2-carbonitrile
• CAS: 38879-96-8
• 化学式: C₁₂H₉N
• 分子量: 167.21
• InChiKey: XEJYIXSQJAMFDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-甲基萘-2-甲腈 在 N-溴代丁二酰亚胺(NBS) 、 十二/十四烷基二甲基氧化胺 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 二氯甲烷 、 氯仿 为溶剂， 生成 7-({4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]anilino}methyl)naphthalene-2-carbonitrile
  参考文献：
  名称：

  Design, synthesis and structure–Activity relationships of benzoxazinone-Based factor Xa inhibitors

  摘要：

  A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds I and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inhibitors with improved trypsin selectivity. The P4 modifications lead to monoamidines which are moderately active. The benzoxazinones 41-45 are potent against factor Xa, retain the improved trypsin selectivity of the corresponding aniline-based compounds, and show strong antithrombotic effect dose responsively. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00927-7
• 作为产物：
  描述：

  7-羟基-2-萘甲腈 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-甲基萘-2-甲腈
  参考文献：
  名称：

  Design, synthesis and structure–Activity relationships of benzoxazinone-Based factor Xa inhibitors

  摘要：

  A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds I and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inhibitors with improved trypsin selectivity. The P4 modifications lead to monoamidines which are moderately active. The benzoxazinones 41-45 are potent against factor Xa, retain the improved trypsin selectivity of the corresponding aniline-based compounds, and show strong antithrombotic effect dose responsively. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00927-7

文献信息

• Aromatic amidine derivatives and salts thereof
  申请人：Daiichi Pharmaceutical Co., Ltd.

  公开号：US05576343A1

  公开（公告）日：1996-11-19

  An anticoagulant agent which comprises, as an active ingredient, an aromatic amidine derivative represented by the following general formula (1) or a salt thereof: ##STR1## wherein the group represented by ##STR2## is a group selected from indolyl, benzofuranyl, benzothienyl, benzimidazolyl, benzoxazolyl, benzothiazolyl, naphthyl, tetrahydronaphthyl and indanyl; X is a single bond, an oxygen atom, a sulfur atom or a carbonyl group; and Y is a saturated or unsaturated 5- or 6-membered heterocyclic moiety or cyclic hydrocarbon moiety optionally having a substituent group, an amino group optionally having a substituent group or an aminoalkyl group optionally having a substituent group. The inventive compound has a high anticoagulant capacity based on its excellent FXa inhibition activity.

  一种抗凝剂，其包括作为活性成分的芳香胺基衍生物，其由以下一般式（1）或其盐所表示：##STR1## 其中由##STR2##表示的基团是从吲哚基，苯并呋喃基，苯并噻吩基，苯并咪唑基，苯并噁唑基，苯并噻唑基，萘基，四氢萘基和吲哚基中选择的基团；X是单键，氧原子，硫原子或羰基；Y是饱和或不饱和的5-或6-成员杂环基团或环烃基团，可选地具有取代基团，可选地具有取代基团的氨基团或可选地具有取代基团的氨基烷基团。这种创新化合物具有基于其出色的FXa抑制活性的高抗凝能力。
• [EN] OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS<br/>[FR] OXADIAZOLONES EN TANT QU'INHIBITEURS DE CANAL POTENTIEL RÉCEPTEUR TRANSITOIRE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018096159A1

  公开（公告）日：2018-05-31

  The invention relates to compounds of formula (I) and pharmaceutically acceptable salts thereof. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  该发明涉及式(I)的化合物及其药用可接受的盐。此外，本发明涉及制备方法和使用式(I)的化合物的方法，以及含有这种化合物的药物组合物。这些化合物可能在治疗由TRPA1介导的疾病和症状，如疼痛方面有用。
• [EN] DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF<br/>[FR] DÉRIVÉS DE DÉCAHYDROQUINOXALINE ET LEURS ANALOGUES
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2013137479A1

  公开（公告）日：2013-09-19

  A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, l, and n respectively represent an integer of 1 or 2; X represents -O- or -CH2-; R1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R2 and R3, which are the same or different, each independently represent hydrogen or a lower alkyl group; or R2 and R3 are bonded to form a cyclo-C3-C8 alkyl group; and R4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).

  通用式（1）表示的杂环化合物或其盐：其中m，l和n分别表示1或2的整数；X表示-O-或-CH2-；R1表示氢，较低的烷基基团，羟基较低的烷基基团，保护基或三较低烷氧基较低的烷基基团；R2和R3，相同或不同，各自独立地表示氢或较低的烷基基团；或R2和R3结合形成环-C3-C8烷基基团；R4表示芳香基团或杂环基团，其中芳香基团或杂环基团可能具有一个或多个任意取代基。
• Process for preparing 2-phenyl-3-naphthylpropionic acid derivatives
  申请人：Daiichi Pharmaceutical Co., Ltd.

  公开号：US06252088B1

  公开（公告）日：2001-06-26

  A process for preparing a compound represented by general formulae (5) and (6) in the following reaction scheme or salts thereof, wherein R1 represents a protective group for a nitrogen atom; R2 represents a methanesulfonyl group or p-toluenesulfonyl group; R3 represents a hydrogen atom, an aralkyl group, or an alkyl group having 1 to 6 carbon atoms; and X represents a halogen atom. The above process is useful as an industrial process for preparing intermediates of anticoagulant aromatic amidine derivatives described in Japanese Patent Application Laid-Open (kokai) No. 208946/1993.

  一种制备以下反应方案中的通用化合物（5）和（6）或其盐的方法，其中R1代表氮原子的保护基团；R2代表甲磺酰基团或对甲苯磺酰基团；R3代表氢原子、芳基烷基或具有1至6个碳原子的烷基；X代表卤素原子。上述方法可用作制备日本专利申请公开（公开号208946/1993）中描述的抗凝血芳香胺衍生物中间体的工业过程。
• Construction of polyaromatics via photocyclization of 2-(fur-3-yl)ethenylarenes, using a 3-furyl group as an isopropenyl equivalent synthon
  作者：Ying-Zhe Chen、Ching-Wen Ni、Fu-Lin Teng、Yi-Shun Ding、Tunng-Hsien Lee、Jinn-Hsuan Ho

  DOI：10.1016/j.tet.2014.01.035

  日期：2014.3

  The construction of different types of substituted arenes was demonstrated through the photocyclization of 2-(fur-3-yl)ethenylarenes using a 3-furyl group as an isopropenyl equivalent synthon in the photocyclization reaction. The furan portion of the photocyclization intermediate could be fragmented via a base-induced elimination reaction to yield a series of substituted polyaromatics, including naphthalene

  通过在光环化反应中使用3-呋喃基作为异丙烯基当量合成子，通过2-（呋喃基-3-基）乙烯基芳烃的光环化，证明了不同类型取代的芳烃的构建。可以通过碱诱导的消除反应使光环化中间体的呋喃部分断裂，以产生一系列取代的聚芳族化合物，包括萘，苯并呋喃，苯并噻吩，菲，菲、,和三亚苯基。使用不同的试剂，该方法使得可以在这些芳烃的特定位置处引入甲基或2-羟乙基作为取代基。