2-Neopentylindol | 38136-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-Neopentylindol
• 英文别名: 2-(2,2-dimethyl-propyl)-indole；2-(2,2-dimethylpropyl)-1H-indole
• CAS: 38136-74-2
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: ZWMVEAREPYHEBX-UHFFFAOYSA-N

物化性质

• 熔点：
  102-104 °C
• 沸点：
  311.6±11.0 °C(Predicted)
• 密度：
  1.016±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4,4-二甲基-2-戊酮 在 甲烷磺酸 、 4 A molecular sieve 、 phosphorus pentoxide 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 2-Neopentylindol
  参考文献：
  名称：

  Regioselective Fischer indole route to 3-unsubstituted indoles

  摘要：

  Use of Eaton's reagent (P2O5/MeSO3H) as acid catalyst in the Fischer indole reaction using methyl ketones provides unprecedented regiocontrol to form the 3-unsubstituted indoles. In several instances where the harshness of the reagent causes decomposition and low yields, dilution in sulfolane or dichloromethane results in far less degradation and higher yields of indoles. Steric effects and the acidity of the medium are the two major factors that control the regioselectivity. The role of the P2O5 in the reagent mixture P2O5/MeSO3H is simply as a drying agent when used as catalyst for the Fischer indole reaction.

  DOI：

  10.1021/jo00009a014

文献信息

• Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof
  申请人：Burgess Kevin

  公开号：US20120232268A1

  公开（公告）日：2012-09-13

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。
• Heterocyclic Substituted Pyrimidine Compound
  申请人：Wu Yongqian

  公开号：US20140288063A1

  公开（公告）日：2014-09-25

  The present invention pertains to the field of medical technology, and particularly relates to a heterocyclic substituted pyrimidine compound represented by General Formula (I) and its pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description, the present invention also relates to a preparation method of the compound, a pharmaceutical composition containing the compound, and a use of the compound and the pharmaceutical composition in preparation of a medicine for enhancing a cGMP signal transduction function or a medicine for treating or preventing sexual dysfunction and diseases with lower urinary tract symptoms.

  本发明涉及医学技术领域，特别涉及一种由通用公式（I）表示的杂环取代嘧啶化合物及其在药学上接受的盐，其中R1、R2、R3、R4和R5如描述中所定义，本发明还涉及该化合物的制备方法、含有该化合物的药物组合物，以及该化合物和药物组合物在制备增强cGMP信号转导功能的药物或治疗或预防性功能障碍和下尿路症状疾病的药物中的用途。
• COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Elder Amy

  公开号：US20110144090A1

  公开（公告）日：2011-06-16

  Indole compounds are disclosed. Also disclosed are methods for using the compounds to treat human and animal disease, pharmaceutical compositions of the compounds, and kits including the compounds.

  揭示了吲哚化合物。还揭示了使用该化合物治疗人类和动物疾病的方法，该化合物的药物组成以及包括该化合物的试剂盒。
• BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS
  申请人：Seth Punit P.

  公开号：US20100130513A1

  公开（公告）日：2010-05-27

  Provided are compounds of the formula: wherein R N1 is a substituent of formula G 1 -NX 1 X 2 , wherein G 1 is an optionally further substituted alkylene, which optionally forms, together with R N2 , a cyclic group, and each of X 1 and X 2 is independently H or an N-substituent, or X 1 and X 2 together form a heterocyclic ring, or X 1 together with G 1 forms a cyclic group and X 2 is H or an N-substituent; and each of Z 1 , Z 2 , Z 3 and Z 4 is H or a substituent, or two of Z 1 , Z 2 , Z 3 and Z 4 together form an optionally substituted ring, and further wherein at least one of Z 1 , Z 2 , Z 3 and Z 4 is other than H, and salts thereof, pharmaceutical compositions and methods of using the compounds. The compounds have antiviral activity.

  提供了以下式子的化合物：其中RN1是公式G1-NX1X2的取代基，其中G1是可选的进一步取代的烷基，它与RN2一起可选地形成环状基团，而且X1和X2分别是H或N取代基，或X1和X2一起形成杂环环，或X1与G1一起形成环状基团，而X2是H或N取代基; Z1、Z2、Z3和Z4中的每一个都是H或取代基，或Z1、Z2、Z3和Z4中的两个一起形成可选的取代环，而且至少Z1、Z2、Z3和Z4中的一个不是H，以及其盐、制药组合物和使用该化合物的方法。这些化合物具有抗病毒活性。
• POLY(AMIDE) POLYMERS FOR THE DELIVERY OF OLIGONUCLEOTIDES
  申请人：Barrett Stephanie E.

  公开号：US20130253135A1

  公开（公告）日：2013-09-26

  The present invention provides poly(amide) polymers, polyconjugates, compositions and methods for the delivery of oligonucleotides for therapeutic purposes.

  本发明提供了用于治疗目的的寡核苷酸传递的聚酰胺聚合物，聚共轭物，组成物和方法。