2-(Boc-amino)-3-methylphenol | 177342-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Boc-amino)-3-methylphenol
• 英文别名: (2-hydroxy-6-methyl-phenyl)-carbamic acid tert-butyl ester；2-Hydroxy-6-methyl-N-tert-butoxycarbonylaniline；Tert-butyl 2-hydroxy-6-methylphenylcarbamate；tert-butyl N-(2-hydroxy-6-methylphenyl)carbamate
• CAS: 177342-60-8
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.272
• InChiKey: KMCZDRVWSNSEOK-UHFFFAOYSA-N

物化性质

• 沸点：
  279.6±33.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(Boc-amino)-3-methylphenol 在 盐酸 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 28.0h， 生成 1-methyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene
  参考文献：
  名称：

  WO2008/124614

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基-3-甲基苯酚 、 二碳酸二叔丁酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 2-(Boc-amino)-3-methylphenol
  参考文献：
  名称：

  WO2008/124614

  摘要：

  公开号：

文献信息

• 1H-indole-1-functional sPLA.sub.2 inhibitors
  申请人：Eli Lilly and Company

  公开号：US05641800A1

  公开（公告）日：1997-06-24

  A class of novel 1H-indole-1-functional compounds is disclosed together with the use of such indole compounds for inhibiting sPLA.sub.2 mediated release of fatty acids for treatment of conditions such as septic shock. The compounds are 1H-indole-1-acetamides, 1H-indole-1-acetic acid hydrazides, and 1H-indole-1-glyoxylamides.

  本发明公开了一类新型的1H-吲哚-1-官能化合物，以及使用这些吲哚化合物抑制sPLA.sub.2介导的脂肪酸释放，治疗诸如感染性休克等疾病的用途。这些化合物是1H-吲哚-1-乙酰胺、1H-吲哚-1-乙酸肼和1H-吲哚-1-甘氧酰胺。
• Rearrangement of Differentially Protected<i>N</i>-Arylhydroxylamines
  作者：Achim Porzelle、Michael D. Woodrow、Nicholas C. O. Tomkinson

  DOI：10.1002/ejoc.200800672

  日期：2008.10

  The rearrangement of a series of N,O-difunctionalized N-arylhydroxylamines to generate protected 2-aminophenols has been investigated. N-Boc-N-aryl-O-acylhydroxylamines are stable, isolable compds. which rearrange smoothly at temps. between 110 and 140°C. The corresponding N-Boc-N-aryl-O-sulfonylhydroxylamines were not isolated and rearrange to 1,2-difunctionalized aminophenols at room temp. in excellent

  已经研究了一系列 N,O-双官能化 N-芳基羟胺的重排以生成受保护的 2-氨基苯酚。N-Boc-N-芳基-O-酰基羟胺是稳定的、可分离的化合物。在临时情况下顺利重新排列。在 110 到 140°C 之间。相应的 N-Boc-N-芳基-O-磺酰基羟胺在室温下未分离并重排为 1,2-双官能化氨基酚。以优异的产量。标准下N-或O-取代基的脱保护。条件允许对苯胺或苯酚官能团进行进一步的合成操作。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Ashweek Neil

  公开号：US20100184741A1

  公开（公告）日：2010-07-22

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 1d , R 2 , R 2a , and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了具有在男性和女性中治疗各种性激素相关疾病用途的GnRH受体拮抗剂。本发明的化合物具有以下结构：其中R1a，R1b，R1c，R1d，R2，R2a和A如此定义，包括立体异构体，酯类，溶剂化物和其药学上可接受的盐。还揭示了含有本发明化合物与药学上可接受的载体结合的组合物，以及与其相关的用于在需要时拮抗促性腺激素释放激素的方法。
• AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS
  申请人：Hanessian Stephan

  公开号：US20100113504A1

  公开（公告）日：2010-05-06

  The present invention relates to a compound of Formula (I), its geometrical isomers, in an optically active form as enantiomers, diastereomers, as well as in the form of racemate, as well as pharmaceutically acceptable salts thereof, wherein R is selected from CONHOH, CONHCH 2 SH, CONHCH 2 SCOCH 3 , SH, SCOCH 3 , SCH 3 , N(OH)COH, COCONHCH 3 and CF 3 for the preparation of a medicament, in particular for selectively inducing terminal differentiation of neoplastic cells and thereby inhibiting proliferation of such cells, for inducing differentiation of tumor cells in a tumor, for inhibiting the activity of histone deacetylase and for the treatment of primary cancer or secondary cancer.

  本发明涉及一种公式(I)的化合物，其几何异构体，以光学活性形式作为对映体，对映异构体，以及盐的形式，其中R选自CONHOH，CONHCH2SH，CONHCH2SCOCH3，SH，SCOCH3，SCH3，N（OH）COH，COCONHCH3和CF3，用于制备药物，特别是用于选择性诱导肿瘤细胞的终端分化，从而抑制这些细胞的增殖，诱导肿瘤中肿瘤细胞的分化，抑制组蛋白去乙酰化酶的活性以及治疗原发性癌症或转移性癌症。
• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US08263588B2

  公开（公告）日：2012-09-11

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R1a, R1b, R1c, R1d, R2, R2a, and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了具有在男性和女性中治疗各种与性激素相关的疾病的效用的GnRH受体拮抗剂。该发明的化合物具有以下结构：其中R1a，R1b，R1c，R1d，R2，R2a和A如本文所定义，包括立体异构体，酯类，溶剂化合物和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体组合的组合物，以及与之相关的方法，用于在需要拮抗促性腺激素释放激素的受体的主体中使用。