3-茚-3-基-丙酸 | 100518-71-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 中文名称: 3-茚-3-基-丙酸
• 英文名称: 3-(3-1H-indenyl)propionic acid
• 英文别名: 3-(2-Carboxy-ethyl)-inden；3-inden-3-yl-propionic acid；3-Inden-3-yl-propionsaeure；3-(1H-Inden-3-YL)propanoic acid；3-(3H-inden-1-yl)propanoic acid
• CAS: 100518-71-6
• 化学式: C₁₂H₁₂O₂
• 分子量: 188.226
• InChiKey: CXELOVCQOUGAHE-UHFFFAOYSA-N

物化性质

• 熔点：
  120.5-121.5 °C
• 沸点：
  360.8±21.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-茚-3-基-丙酸 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.5h， 生成 [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[3-(1H-indol-3-yl)propanoyl]sulfamate;N,N-diethylethanamine
  参考文献：
  名称：

  SULFAMIDE AND SULFAMATE INHIBITORS OF hHint1

  摘要：

  实施例提供了一些化合物I的公式和使用这些化合物来减轻疼痛（例如神经性疼痛）、治疗哺乳动物对尼古丁或镇痛药物的成瘾，并增加哺乳动物对结合MOR或NMDAR的药物的敏感性的方法。

  公开号：

  US20180065965A1
• 作为产物：
  描述：

  ethyl 3-(3H-inden-1-yl)prop-2-enoate 在 palladium 10% on activated carbon 、 氢气 、 potassium hydroxide 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 13.0h， 生成 3-茚-3-基-丙酸
  参考文献：
  名称：

  Sharma, Mukul; Rajesh, U. Chinna; Rawat, Diwan S., Journal of the Indian Chemical Society, 2013, vol. 90, # 10, p. 1853 - 1860

  摘要：

  DOI：

文献信息

• Enantioselective Bromolactonization of Trisubstituted Olefinic Acids Catalyzed by Chiral Pyridyl Phosphoramides
  作者：Yasuhiro Nishikawa、Yuhta Hamamoto、Rika Satoh、Naho Akada、Shuhei Kajita、Marina Nomoto、Megumi Miyata、Madoka Nakamura、Chinatsu Matsubara、Osamu Hara

  DOI：10.1002/chem.201804630

  日期：2018.12.17

  Enantioselective bromolactonization of trisubstituted olefinic acids producing synthetically useful chiral lactones with two contiguous asymmetric centers has remained mainly unexplored except for the 6‐exo cyclization mode. In this work, the 5‐exo‐ and 6‐endo modes of bromocyclization of trisubstituted olefinic acids were enabled for the first time using N‐bromosuccinimide and a pyridyl phosphoramide

  除6- exo环化方式外，三取代烯烃生产具有两个连续不对称中心的合成有用的手性内酯的对映选择性溴内酯化主要仍未开发。在这项工作中，使用N首次启用了三取代烯烃的溴环化的5-外和6-内环模式。-溴代琥珀酰亚胺和吡啶基磷酰胺催化剂。通过利用反应性烷基溴化物部分进行转化而不丧失立体化学信息，证明了所得溴内酯的实用性。优化研究和对照实验表明，磷酰胺物种中吡啶部分的碱性和NH质子的存在强烈影响反应性和对映选择性参数。
• Trichloromethylative Olefin Lactonization by Photoredox Catalysis
  作者：Shinji Harada、Ryotaro Koyama、Ryuya Masuda、Shigeru Arai

  DOI：10.1002/ejoc.202300747

  日期：2023.10.9

  Trichloromethylative olefin lactonization was reported. A photoredox iridium catalyst irradiated with blue LEDs promoted the reaction without using hazardous reagents. The mechanistic studies were performed by experimental and theoretical means. The trichloromethyl moiety of the product could be converted to the corresponding dichloroalkene and chloroalkyne in addition to the carboxyl group.

  报道了三氯甲基化烯烃内酯化。用蓝色 LED 照射的光氧化还原铱催化剂在不使用危险试剂的情况下促进了反应。通过实验和理论手段进行了机理研究。除羧基外，产物的三氯甲基部分还可转化为相应的二氯烯烃和氯炔。
• February asthma outbreaks in NSW: a case control study
  作者：Susan Lister、Vicky Sheppeard、Geoffrey Morgan、Stephen Corbett、Jill Kaldor、Richard Henry

  DOI：10.1111/j.1467-842x.2001.tb00315.x

  日期：2001.12

  Objectives: To investigate individual factors associated with an asthma outbreak among children aged one to 14 years in Sydney in February 1999. Methods: A case control study was undertaken with cases (n=92) defined as all children admitted to Sydney Children's Hospital for asthma in February 1999. Unmatched controls (n=76) were all children admitted for asthma in the previous three months. We obtained information by a structured telephone survey of parents. Logistic regression analyses were used to determine odds ratios for risk factors for hospital admission. Results: Mean age for hospital admission of 4.7 years for cases and 4.4 years for controls. The presence of one or more siblings reduced the risk of admission during an asthma outbreak (OR=0.59, 95% Cl 0.37 to 0.93). Children with older siblings aged 10 to 14 years were also less likely to be admitted (OR=0.3, 95% Cl 0.12 to 0.74). An age effect was observed. Other demographic, clinical and environmental characteristics, including smoking, were not associated with admission during the outbreak. Conclusions: The main findings of this study are the protective effect of siblings and an age-dependent effect in risk of hospital admission during an asthma outbreak. These findings are consistent with an infective cause of the outbreak. Implications: Children without siblings, particularly older siblings, appear to be at highest risk of hospital admission during an asthma outbreak. Environmental and other factors need to be examined to further explain the episodicity of such outbreaks and to determine means of predicting and preventing future episodes.
• Posthysterectomy Vault Eversion with a Large Retroperitoneal Mass
  作者：V. L. Handa、K. Jain、K. McCue、P. D. Schneider

  DOI：10.1007/pl00004038

  日期：2001.8

  A woman with complete vaginal eversion was found to have a large pelvic mass, extending from the rectovaginal septum to the presacral space. This 66-year-old woman with posthysterectomy vaginal eversion complained of pelvic fullness. A pessary provided relief of the prolapse, but the symptom of fullness persisted. Physical examination did not identify a pelvic mass. Computed tomography (CT) and magnetic resonance imaging (MRI) demonstrated a 9 cm tumor of the rectovaginal septum, extending to the presacral space. At laparotomy the patient had a massive neurofibroma arising from the anterior rectal wall. This case is of interest because the complete vaginal prolapse obscured the diagnosis of this large pelvic tumor. CT and MRI were useful in identifying and characterizing the mass. To our knowledge, this is the first reported case of vaginal prolapse with a large pelvic mass.
• Sharma, Mukul; Rajesh, U. Chinna; Rawat, Diwan S., Journal of the Indian Chemical Society, 2013, vol. 90, # 10, p. 1853 - 1860
  作者：Sharma, Mukul、Rajesh, U. Chinna、Rawat, Diwan S.

  DOI：——

  日期：——