1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile | 62248-66-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
• 英文别名: 1-methyl-1,2,3,4-tetrahydro-[1]naphthonitrile；1-Methyl-1,2,3,4-tetrahydro-[1]naphthonitril；1-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
• CAS: 62248-66-2
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: NYHVRJJOGMZJKX-UHFFFAOYSA-N

物化性质

• 沸点：
  300.9±21.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile 在 水 、 双氧水 、 potassium carbonate 、 溶剂黄146 、 [双(三氟乙酰氧基)碘]苯 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 乙腈 为溶剂， 反应 16.0h， 生成 2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2014106238A8
• 作为产物：
  描述：

  1-氰基四氢化萘 在 sodium amide 、 碘甲烷 作用下， 生成 1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
  参考文献：
  名称：

  Protiva et al., Chemicke Listy, 1953, vol. 47, p. 584,587

  摘要：

  DOI：

文献信息

• Synthesis of Tertiary Benzylic Nitriles via Nickel-Catalyzed Markovnikov Hydrocyanation of α-Substituted Styrenes
  作者：Yidan Xing、Rongrong Yu、Xianjie Fang

  DOI：10.1021/acs.orglett.9b04554

  日期：2020.2.7

  The Markovnikov hydrocyanation of α-substituted styrenes enables the synthesis of tertiary benzylic nitriles under nickel catalysis. The Lewis-acid-free transformation features an unprecedented functional groups tolerance, including the -OH and -NH2 groups. A broad range of tertiary benzylic nitriles were obtained in good to excellent yields. In addition, an asymmetric version of this reaction was

  α-取代的苯乙烯的马尔科夫尼科夫氢氰化能够在镍催化下合成叔苄腈。无路易斯酸的转化具有前所未有的官能团耐受性，包括-OH和-NH2基团。以良好至优异的产率获得了广泛的叔苄腈。另外，初步研究了该反应的不对称形式。
• METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES
  申请人：Galley Guido

  公开号：US20120071506A1

  公开（公告）日：2012-03-22

  The present invention relates to a method for treating a disorder selected from depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R 1 , R 2 , Q, W, X, Y, m, and n are as defined in the specification, and their pharmaceutically active salts, racemic mixtures, enantiomers, optical isomers and tautomeric forms. The invention also relates to novel compounds of formula I, compositions containing them, and methods for their preparation.

  本发明涉及一种治疗选自抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍、与压力有关的障碍、精神病性障碍如精神分裂症、神经疾病如帕金森病、神经退行性疾病如阿尔茨海默病、癫痫、偏头痛、高血压、物质滥用和代谢障碍如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收障碍、体温稳态障碍和功能障碍、睡眠和昼夜节律障碍以及心血管障碍的方法，包括向个体施用公式I化合物的治疗有效量，其中R1、R2、Q、W、X、Y、m和n在说明书中定义，以及它们的药物活性盐、混合物、对映体、光学异构体和互变异构体。本发明还涉及公式I的新化合物、含有它们的组合物以及其制备方法。
• Inhibitors Of Beta-Secretase
  申请人：Dillard Lawrence W.

  公开号：US20110218192A1

  公开（公告）日：2011-09-08

  The present invention is directed to a compound represented by the following structural formula: or a pharmaceutically acceptable salt thereof. Pharmaceutical composition comprising a compound represented by Structural Formula (I) and method of use of these compound for inhibiting BACE activity in a subject in need of such treatment are also described.

  本发明涉及以下结构式所表示的化合物或其药学上可接受的盐。还描述了包含由结构式（I）所表示的化合物的药物组合物和使用这些化合物抑制需要此类治疗的受体中的BACE活性的方法。
• Heterocyclic Compounds And Methods Of Use Thereof
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20150336928A1

  公开（公告）日：2015-11-26

  Provided herein are heterocyclyl compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. The compounds provided herein are useful for the treatment, prevention, and/or management of various neurological disorders, including but not limited to, psychosis and schizophrenia.

  本文提供了杂环化合物，其合成方法，包括这些化合物的制药组合物，以及它们的使用方法。这些化合物可用于治疗、预防和/或管理各种神经系统疾病，包括但不限于精神病和精神分裂症。
• Tricyclic aromatase inhibitors
  申请人：AKZO N.V.

  公开号：EP0360324A1

  公开（公告）日：1990-03-28

  The invention relates to tricyclic aromatase inhibitors, their preparation and their use in a pharmaceutical preparation. The compounds according to the invention possess the general formula I wherein R¹ and R² independently of one another denote H, halogen, alkyl, alkoxy, alkythio, OH, CN, CF₃, NO₂, an amino group which is unsubstituted or substituted by alkyl, an NHacyl group, carbonamide or a free or esterified carboxylate group; R³ is H, alkyl, alkoxyalkyl or arylalkyl; R⁴ is H, OH, alkoxy or arylalkoxy; m is 1 or 2; n is 2, 3 or 4; the broken line represents an optional bond; with the proviso that when R¹ and R² are H, halogen, alkyl, alkoxy or OH, m = 1, n = 3, the broken line does not represent a bond and Q is imidazolyl, R³ and R⁴ may not both be H; and also pharmaceutically acceptable salts.

  本发明涉及三环芳香化酶抑制剂、其制备方法及其在药物制剂中的用途。 根据本发明的化合物具有通式 I 其中 R¹ 和 R² 相互独立地表示 H、卤素、烷基、烷氧基、烷硫基、OH、CN、CF₃、NO₂、未取代或被烷基取代的氨基、NHacyl 基团、碳酰胺或游离或酯化的羧酸基团； R³ 是 H、烷基、烷氧基烷基或芳基烷基； R⁴ 是 H、OH、烷氧基或芳基烷氧基； m 是 1 或 2 n 是 2、3 或 4； 断线代表任选键； 但当 R¹ 和 R² 为 H、卤素、烷基、烷氧基或 OH，m=1，n=3，断线不代表键，且 Q 为咪唑基时，R³ 和 R⁴ 不一定都是 H； 以及药学上可接受的盐类。