2-氨基-2-甲基-1-四氢萘酮 | 96866-39-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 2-氨基-2-甲基-1-四氢萘酮
• 英文名称: 2-amino-2-methyl-1-tetralone
• 英文别名: 2-amino-2-methyl-3,4-dihydronaphthalen-1(2H)-one；2-amino-2-methyl-3,4-dihydronaphthalen-1-one
• CAS: 96866-39-6
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: ODKHCPYRDFYCGY-UHFFFAOYSA-N

物化性质

• 沸点：
  293.9±29.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  2-氨基-2-甲基-1-四氢萘酮 以83%的产率得到
  参考文献：
  名称：

  YANG, D. J.;DAVISSON, J. N., J. MED. CHEM., 1985, 28, N 9, 1361-1365

  摘要：

  DOI：
• 作为产物：
  描述：

  2-amino-2-cyano-4-phenylbutane 在 硫酸 作用下， 反应 24.0h， 以15.8%的产率得到2-氨基-2-甲基-1-四氢萘酮
  参考文献：
  名称：

  Aminotetralone analogs of ketamine: synthesis and evaluation of hypnotic and locomotor properties in mice

  摘要：

  Ketamine and phencyclidine are structurally similar compounds that share many pharmacological actions, some of which are similar to the phenethylamines amphetamine and cathione. In order to integrate structural features of ketamine and cathinone, two groups of analogues, which are more conformationally restricted compared to the parent compounds, were synthesized for biological evaluation. These included 1-amino-1-methyl-2-tetralone and 2-amino-2-methyl-1-tetralone was well as several N-substituted derivatives of these molecules. Locomotor activity testing in mice revealed that 2-amino-2-methyl-1-tetralone caused an increase in locomotor activity while 1-amino-1-methyl-2-tetralone depressed spontaneous locomotor activity. None of the compounds produced hypnosis or profound ataxia.

  DOI：

  10.1021/jm00147a044

文献信息

• Flexible Stereoselective Functionalizations of Ketones through Umpolung with Hypervalent Iodine Reagents
  作者：Pushpak Mizar、Thomas Wirth

  DOI：10.1002/anie.201400405

  日期：2014.6.2

  The functionalization of carbonyl compounds in the α‐position has gathered much attention as a synthetic route because of the wide biological importance of such products. Through polarity reversal, or “umpolung”, we show here that typical nucleophiles, such as oxygen, nitrogen, and even carbon nucleophiles, can be used for addition reactions after tethering them to enol ethers. Our findings allow novel

  由于此类产品具有广泛的生物学重要性，因此羰基化合物在α位上的功能化作为合成途径已引起广泛关注。通过极性反转或“极性”，我们在这里表明典型的亲核试剂，例如氧，氮，甚至碳亲核试剂，在将它们束缚到烯醇醚后，可以用于加成反应。我们的发现可以进行新颖的逆合成规划，并可以快速组装以前只能通过多步序列访问的结构。
• Compositions, Methods of Use, and Methods of Treatment
  申请人：Amin Jahanshah

  公开号：US20140221473A1

  公开（公告）日：2014-08-07

  Embodiments of the present disclosure provide compositions including ketamine analogues, salts, and disalts, pharmaceutical compositions including ketamine analogues, salts, or disalts, methods of treatment of a condition or disease, methods of treatment using compositions or pharmaceutical compositions, and the like.

  本公开的实施例提供了包括氯胺酮类似物、盐和双盐在内的组合物，包括氯胺酮类似物、盐或双盐的药物组合物，治疗疾病或疾病的方法，使用组合物或药物组合物进行治疗的方法等。
• US9073819B2
  申请人：——

  公开号：US9073819B2

  公开（公告）日：2015-07-07
• [EN] COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS, MÉTHODES D'UTILISATION ET MÉTHODES DE TRAITEMENT
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2013003669A2

  公开（公告）日：2013-01-03

  Embodiments of the present disclosure provide compositions including ketamine analogues, salts, and disalts, pharmaceutical compositions including ketamine analogues, salts, or disalts, methods of treatment of a condition or disease, methods of treatment using compositions or pharmaceutical compositions, and the like.