噁唑,2-(1,1-二甲基乙基)-4,5-二氢-4-苯基-,(R)- | 168034-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 噁唑,2-(1,1-二甲基乙基)-4,5-二氢-4-苯基-,(R)-
• 英文名称: (4S)-4-phenyl-2-tert-butyl-2-oxazoline
• 英文别名: (4R)-2-tert-butyl-4-phenyl-4,5-dihydrooxazol；Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-；(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole
• CAS: 168034-01-3
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: GQQWSKVVWMLALT-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 sodium carbonate 、 sodium thiosulfate 作用下， 以 水 为溶剂， 生成 噁唑,2-(1,1-二甲基乙基)-4,5-二氢-4-苯基-,(R)-
  参考文献：
  名称：

  EFFICIENT OXIDATIVE SYNTHESIS OF (-)-2-TERT-BUTYL-(4S)-BENZYL-(1,3)-OXAZOLINE

  摘要：

  DOI：

  10.15227/orgsyn.085.0267

文献信息

• Efficient Oxidative Synthesis of 2-Oxazolines
  作者：Frank Glorius、Kirsten Schwekendiek

  DOI：10.1055/s-2006-950198

  日期：——

  New methodology for the synthesis of variously substituted 2-oxazolines and one dihydrooxazine using aldehydes, amino alcohols, and N-bromosuccinimide as an oxidizing agent is described. This one-pot synthesis is characterized by mild reaction conditions, broad scope, high yields, and its preparative simplicity.

  描述了使用醛、氨基醇和 N-溴代琥珀酰亚胺作为氧化剂合成各种取代的 2-恶唑啉和一种二氢恶嗪的新方法。这种一锅法合成具有反应条件温和、范围广、收率高、制备简单等特点。
• BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT
  申请人：AgeneBio, Inc.

  公开号：US20180170941A1

  公开（公告）日：2018-06-21

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age-Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction. It also relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.

  这项发明涉及苯二氮卓啉衍生物，包括含有这些苯二氮卓啉衍生物的治疗有效量的组合物，以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。具体而言，它涉及在需要或有风险的受试者中治疗与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于患有或有风险患有与年龄相关的认知障碍、轻度认知障碍（MCI）、遗忘性MCI（aMCI）、年龄相关记忆障碍（AAMI）、年龄相关认知衰退（ARCD）、痴呆症、阿尔茨海默病（AD）、前驱期AD、创伤后应激障碍（PTSD）、精神分裂症、躁郁症、肌萎缩侧索硬化（ALS）、癌症治疗相关认知障碍、智力障碍、帕金森病（PD）、自闭症谱系障碍、脆性X综合症、瑞特综合症、强迫行为和物质成瘾。它还涉及在治疗与之相关的脑癌（包括脑肿瘤，例如髓母细胞瘤）和认知障碍的情况下，如本文所述使用α5含有的GABAA受体激动剂（例如，α5含有的GABAA受体正向变构调节剂）。
• The Influence of Ligand Side Chain on the Enantioselectivity of Lewis Acid Catalyzed Diels-Alder Reactions.
  作者：Masashige Yamauchi、Kazuhiro Itai、Yuko Honda

  DOI：10.1248/cpb.50.1255

  日期：——

  The enantioselective Lewis acid-catalyzed Diels-Alder reaction of 3-(2-propenoyl)-1,3-oxazolidin-2-one 8 with cyclopentadiene was examined using a series of chiral mox ligands 2-6, deferring in the side chain at 2-position of the chiral oxazoline and in the nature of the substituent at the chiral center (4-position) of the oxazoline ring, and a combination of N-[(1R)-2-chloro-1-phenylethyl]-2-[(4R)-4-phenyl-4

  使用一系列手性Mox配体2-6考察了对映体选择性路易斯酸催化的3-（2-丙烯酰基）-1,3-恶唑烷基-2-酮8与环戊二烯的Diels-Alder反应手性恶唑啉的2-位和在恶唑啉环的手性中心（4-位）的取代基的性质以及N-[（1R）-2-氯-1-苯基乙基] -2-的组合[（4R）-4-苯基-4,5-二氢恶唑-2-基]丁酰胺2-MgI（2）-I（2）是最有效的催化剂。
• Modulators of indoleamine 2,3-dioxygenase
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US10358427B2

  公开（公告）日：2019-07-23

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and methods for their use in the prevention and/or treatment of HIV; including the prevention of the progression of AIDS and general immunosuppression.

  本文提供了化合物及其药学上可接受的盐、它们的药物组合物、它们的制备方法以及它们在预防和/或治疗艾滋病病毒（包括预防艾滋病的发展和一般免疫抑制）中的使用方法。
• Lafargue, Pierre; Guenot, Pierre; Lellouche, Jean-Paul, Heterocycles, 1995, vol. 41, # 5, p. 947 - 958
  作者：Lafargue, Pierre、Guenot, Pierre、Lellouche, Jean-Paul

  DOI：——

  日期：——