2-tert-butyl-5-hydroxynaphtho[2,1-d]oxazole | 1264259-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-tert-butyl-5-hydroxynaphtho[2,1-d]oxazole
• 英文别名: 2-tert-butylnaphtho[2,1-d]oxazol-5-ol；2-Tert-butylbenzo[g][1,3]benzoxazol-5-ol；2-tert-butylbenzo[g][1,3]benzoxazol-5-ol
• CAS: 1264259-45-1
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: PDXPDEYTIJXVAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-5-hydroxynaphtho[2,1-d]oxazole 在 ammonium cerium (IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 以10%的产率得到2-tert-butylnaphtho[2,3-d]oxazole-4,9-dione
  参考文献：
  名称：

  Unexpected reaction of 2-amino-1,4-naphthoquinone with aldehydes: new synthesis of naphtho[2,1-d]oxazole compounds

  摘要：

  Treatment of 3-substituted 2-amino-1,4-naphthoquinones 3 with an aldehyde in a solution of hydrobromic acid in acetic acid led to 2,4-disubstituted naphtho[2,1-d]oxazol-5-ols. The outcome of this simple conversion is even more remarkable in view of the very similar reactions reported in literature, which all give rise to completely different products. Furthermore, the acquired naphthoxazoles 5-11 could be oxidatively ring opened by means of PIFA or CAN into a series of N-acylated 2-amino-1,4-naphthoquinones. A synthetic pathway towards 2-substituted naphtho[2,3-d]oxazole-4,9-diones was also disclosed as the outcome of CAN mediated oxidation of a 4-chloronaphtho[2,1-d]oxazol-5-ol. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.082
• 作为产物：
  描述：

  1,4-萘醌 在 氢溴酸 、 苄氧基胺盐酸盐 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 39.0h， 生成 2-tert-butyl-5-hydroxynaphtho[2,1-d]oxazole
  参考文献：
  名称：

  1,2 나프토퀴논 유도체 및 이의 제조방법

  摘要：

  本发明涉及一种化合物，其用以下化学式（1）表示，以及该化合物的药学上可接受的盐、水合物、溶剂化合物、前体、互变异构体、镜像异构体或药学上可接受的部分立体异构体，以及其制备方法和含有该化合物的治疗或预防代谢性疾病的药物组合物的效果。在上述化学式1中，R至R和X至X如第1款所定义。

  公开号：

  KR20150080425A

文献信息

• 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME
  申请人：KT&G Life Sciences Corporation

  公开号：EP3091005A1

  公开（公告）日：2016-11-09

  Disclosed are a compound represented by Formula (1), or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, tautomer, enantiomer, or pharmaceutically acceptable diastereomer thereof, a method of preparing the same, and a pharmaceutical composition, which have effects for treatment or prevention of metabolic syndromes, comprising the same: wherein R1 to R3,and X1 to X6 are the same as defined in Claim 1.

  本发明公开了由式（1）代表的化合物或其药学上可接受的盐、水合物、溶液剂、原药、同系物、对映体或药学上可接受的非对映异构体、制备方法和药物组合物，其具有治疗或预防代谢综合征的效果： 其中 R1 至 R3 和 X1 至 X6 与权利要求 1 中定义的相同。
• 1,2-naphthoquinone based derivative and method of preparing the same
  申请人：HUEN Co., Ltd.

  公开号：US10927085B2

  公开（公告）日：2021-02-23

  Disclosed are a compound represented by Formula (1) below, or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, tautomer, enantiomer, or pharmaceutically acceptable diastereomer thereof, a method of preparing the same, and a pharmaceutical composition, which have effects for treatment or prevention of metabolic syndromes, comprising the same: wherein R1 to R3,and Xi to X6 are the same as defined in claim 1.

  本发明公开了由下式（1）代表的化合物或其药学上可接受的盐、水合物、溶液剂、原药、同系物、对映体或药学上可接受的非对映异构体、制备方法以及药物组合物，其具有治疗或预防代谢综合征的功效： 其中 R1 至 R3 和 Xi 至 X6 与权利要求 1 中定义的相同。
• 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME
  申请人：KT&G LIFE SCIENCES CORPORATION

  公开号：US20160376243A1

  公开（公告）日：2016-12-29

  Disclosed are a compound represented by Formula (1), or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, tautomer, enantiomer, or pharmaceutically acceptable diastereomer thereof, a method of preparing the same, and a pharmaceutical composition, which have effects for treatment or prevention of metabolic syndromes, comprising the same: wherein R 1 to R 3 , and X 1 to X 6 are the same as defined in Claim 1.
• [EN] 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME<br/>[FR] DÉRIVÉ DE 1,2-NAPHTOQUINONE ET SON PROCÉDÉ DE PRÉPARATION<br/>[KO] 1,2 나프토퀴논 유도체 및 이의 제조방법
  申请人：KT & G LIFE SCIENCES CORP

  公开号：WO2015102369A1

  公开（公告）日：2015-07-09

  본 발명은 화학식 (1)로 표시되는 화합물, 그것의 약제학적으로 허용되는 염, 수화물, 용매화물, 프로드럭, 토토머 (tautomer), 거울상 이성질체 또는 약학적으로 허용 가능한 부분입체 이성질체와, 이의 제조 방법 및 이를 함유하는 대사성 질환 치료 또는 예방 효과를 가지는 의약 조성물에 관한것이다. 상기 화학식 1은 제 1항에서 정의된 바와 같다.
• 1,2 나프토퀴논 유도체 및 이의 제조방법
  申请人：YUNGJIN PHARM. CO., LTD. 영진약품 주식회사(119980028225) Corp. No ▼ 110111-0043127BRN ▼218-81-00352

  公开号：KR20150080425A

  公开（公告）日：2015-07-09

  본 발명은 하기 화학식 (1)로 표시되는 화합물, 그것의 약제학적으로 허용되는 염, 수화물, 용매화물, 프로드럭, 토토머(tautomer), 거울상 이성질체 또는 약학적으로 허용 가능한 부분입체 이성질체와, 이의 제조 방법 및 이를 함유하는 대사성 질환 치료 또는 예방 효과를 가지는 의약 조성물에 관한 것이다. (1)상기 화학식 1에서, R내지 R, 및 X 내지 X은 제1항에서 정의된 바와 같다.

  本发明涉及一种化合物，其用以下化学式（1）表示，以及该化合物的药学上可接受的盐、水合物、溶剂化合物、前体、互变异构体、镜像异构体或药学上可接受的部分立体异构体，以及其制备方法和含有该化合物的治疗或预防代谢性疾病的药物组合物的效果。在上述化学式1中，R至R和X至X如第1款所定义。