6-溴-2,3-二氢-1-苯并呋喃 | 189035-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 6-溴-2,3-二氢-1-苯并呋喃
• 中文别名: 6-溴-2,3-二氢苯并呋喃
• 英文名称: 6-bromo-2,3-dihydrobenzofuran
• 英文别名: 6-bromo-2,3-dihydro-1-benzofuran
• CAS: 189035-22-1
• 化学式: C₈H₇BrO
• 分子量: 199.047
• InChiKey: BQWBDYZMUCSEHK-UHFFFAOYSA-N

物化性质

• 沸点：
  239.8±29.0 °C(Predicted)
• 密度：
  1.582±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥环境下使用。

反应信息

• 作为反应物：
  描述：

  6-溴-2,3-二氢-1-苯并呋喃 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.0h， 生成 1-(2,3-二氢-1-苯并呋喃-6-基)乙酮
  参考文献：
  名称：

  WO2006/137796

  摘要：

  公开号：
• 作为产物：
  描述：

  2,3-二氢苯并呋喃 在 氢氧化钾 、 溴 、 potassium bromide 作用下， 生成 6-溴-2,3-二氢-1-苯并呋喃
  参考文献：
  名称：

  Nonpeptide α_vβ₃ Antagonists. 8. In Vitro and in Vivo Evaluation of a Potent α_vβ₃ Antagonist for the Prevention and Treatment of Osteoporosis

  摘要：

  3(S)-(6-Methoxypyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]-imidazolidin-1-yl}propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC50 = 0.08 nM), a significant unbound fraction in human plasma (12%), and good pharmacokinetics in rat, dog, and rhesus monkey. On the basis of the efficacy shown in three in vivo models of bone turnover, the compound was selected for clinical development. To support the ongoing metabolism and safety studies, a novel strategy was employed in which a series of oxidized derivatives of 6 were prepared by exposure of 6 (or the methyl ester) to chemical oxidizing agents. These products proved useful in the identification of active metabolites generated by either in vitro or in vivo metabolism.

  DOI：

  10.1021/jm030306r
• 作为试剂：
  描述：

  2-氟-5-溴苯甲醚 、 2-(5-三氟甲基-2-吡啶)-乙胺 在 (4-fluoro-3-methoxy-phenyl)-[2-(5-trifluoromethyl-pyridin-2-yl)-ethyl]-amine 、 6-溴-2,3-二氢-1-苯并呋喃 、 2-(6-三氟甲基-3-吡啶)-乙胺 作用下， 生成 (4-fluoro-3-methoxy-phenyl)-[2-(5-trifluoromethyl-pyridin-2-yl)-ethyl]-amine
  参考文献：
  名称：

  HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及一种新型磺酰胺，其化学式为其中R1，R2，R3，R4，R5，Ar，Ar1，Ar2，n，o和p如所述和要求中所述。这些化合物是促进睡眠的药物，可能对涉及促进睡眠的疾病的治疗有用。

  公开号：

  US20090312314A1

文献信息

• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Whitten Jeffrey P.

  公开号：US20110263612A1

  公开（公告）日：2011-10-27

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。
• <i>Ex situ</i> generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: evidence for a transmetallation step between two oxidative addition Pd-complexes
  作者：Steffan K. Kristensen、Espen Z. Eikeland、Esben Taarning、Anders T. Lindhardt、Troels Skrydstrup

  DOI：10.1039/c7sc03912c

  日期：——

  methodology was also suitable for the synthesis of 13C-labelled benzonitriles with ex situ generated 13C-hydrogen cyanide. Stoichiometric studies with the metal complexes were undertaken to delineate the mechanism for this catalytic transformation. Treatment of Pd(P(tBu)3)2 with H13CN in THF provided two Pd-hydride complexes, (P(tBu)3)2Pd(H)(13CN), and [(P(tBu)3)Pd(H)]2Pd(13CN)4, both of which were isolated

  首次报道了使用接近化学计量和气态氰化氢的钯催化芳基溴化物氰化的方案。采用两室反应器在密闭环境中安全释放异位生成的HCN，事实证明该方法在Ni催化的氢氰化反应中非常有效。随后，利用该装置将一定范围的芳基和杂芳基溴化物（28个实例）直接高产率地转化为相应的苄腈，而无需使用氰化物盐。在二恶烷-水溶剂混合物中，使用Pd（0）预催化剂P（t Bu）3 -Pd-G3和弱碱乙酸钾实现氰化。该方法也适用于13的合成C-标记的苄腈与异位生成13 C-氰化氢。进行了金属配合物的化学计量研究，以描述这种催化转化的机理。在THF中用H 13 CN处理Pd（P（t Bu）3）2提供了两种Pd-氢化物配合物（P（t Bu）3）2 Pd（H）（13 CN）和[（P（t Bu） ）3）Pd（H）] 2 Pd（13 CN）4，两者均已分离，并通过NMR光谱和X射线晶体结构分析进行了表征。当在KOAc存在下在THF∶水混合物中进行相同的反应时，仅形成（P（t
• 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20100267689A1

  公开（公告）日：2010-10-21

  The present invention comprises compounds of Formula (I): wherein: X, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涵盖了以下式（I）的化合物： 其中：X，R1，R2，R3和R4如规范中所定义。该发明还涵盖了一种预防、治疗或改善综合征、疾病或疾病的方法，其中所述综合征、疾病或疾病是II型糖尿病、肥胖和哮喘。该发明还涵盖了通过给哺乳动物施用至少一种式（I）化合物的治疗有效量来抑制CCR2活性的方法。
• [EN] PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS<br/>[FR] COMPOSES DE PIPERIDINYLE LIANT SELECTIVEMENT LES INTEGRINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004020435A1

  公开（公告）日：2004-03-11

  The invention is directed to piperidinyl compounds of formula (I) and (II) that selectively bind integrin receptors and methods for treating an integrin mediated disorder, wherein W, R2, Z and q are described in the application.

  这项发明涉及选择性结合整合素受体的式(I)和(II)的哌啶基化合物，以及治疗整合素介导的疾病的方法，其中W、R2、Z和q在申请中有描述。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243527A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性核上性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩侧索硬化或额颞叶痴呆症。