4-羟基-7-甲基-1-茚酮 | 22242-84-8

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 4-羟基-7-甲基-1-茚酮
• 英文名称: 4-hydroxy-7-methyl-1-indanone
• 英文别名: 7-methyl-4-hydroxyindan-1-one；4-Hydroxy-7-methyl-indanon-(1)；4-Hydroxy-7-methyl-indan-1-on；4-Hydroxy-7-methyl-1-indanon；4-hydroxy-7-methyl-2,3-dihydroinden-1-one
• CAS: 22242-84-8
• 化学式: C₁₀H₁₀O₂
• 分子量: 162.188
• InChiKey: LQCJCAYSGRFFCU-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110 °C
• 沸点：
  328.4±41.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  4-羟基-7-甲基-1-茚酮 生成 4-羟基-7甲基茚
  参考文献：
  名称：

  HUTTON, JONATHAN, CHEM. AND IND.,(1989) N, C. 134-140

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methoxy-7-methyl-1-indanone 在 氢溴酸 、 溶剂黄146 作用下， 反应 1.0h， 以87%的产率得到4-羟基-7-甲基-1-茚酮
  参考文献：
  名称：

  Kamat, Shrivallabh P.; Menezes, Jose C.; Siddhaye, Bhushan M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 10, p. 1597 - 1599

  摘要：

  DOI：

文献信息

• Indanonyl phosphates as insecticides
  申请人：Velsicol Chemical Corporation

  公开号：US04322414A1

  公开（公告）日：1982-03-30

  This invention discloses new insecticidal compounds of the formula: ##STR1## wherein each X.sup.1 and X.sup.2 is oxygen or sulfur; R.sup.1 is selected from the group consisting of alkyl, alkenyl, alkoxy, alkythio and: ##STR2## wherein X.sup.3 is oxygen or sulfur, p is the integer 0 or 1, Z is selected from the group consisting of alkyl, halogen, alkoxy, alkylthio, haloalkyl and nitro, and q is an integer from 0 to 3; R.sup.2 is selected from the group consisting of alkyl, alkenyl; Y.sup.1 and Y.sup.2 are each selected from the group consisting of alkyl, halogen, nitro, alkoxy, alkylthio and haloalkyl; and m and n are integers from 0 to 2.

  这项发明揭示了新的杀虫化合物，化学式为：##STR1## 其中每个X.sup.1和X.sup.2是氧或硫；R.sup.1从烷基、烯基、烷氧基、烷硫基和下列结构中选择：##STR2## 其中X.sup.3是氧或硫，p是整数0或1，Z从烷基、卤素、烷氧基、烷硫基、卤代烷基和硝基中选择，q是整数0到3；R.sup.2从烷基、烯基中选择；Y.sup.1和Y.sup.2分别从烷基、卤素、硝基、烷氧基、烷硫基和卤代烷基中选择；m和n是整数0到2。
• Structural analysis of 2-arylidene-1-indanone derivatives by electrospray ionization tandem mass spectrometry
  作者：José C. J. M. D. S. Menezes、José A. S. Cavaleiro、M. Rosário M. Domingues

  DOI：10.1002/rcm.6701

  日期：2013.11.15

  derivatives inspired from donepezil, the current drug used for the treatment of Alzheimer's disease as inhibitor of acetylcholinesterase (AChE), were studied for the first time by electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (MS/MS). Structurally, these arylidene-indanone compounds are considered as cyclic analogues of chalcones. METHODS ESI-MS and tandem mass spectra were

  RATIONALE首次研究了从多奈哌齐中获得启发的2-芳基-4-甲氧基（或羟基）-7-甲基-1-茚满酮衍生物，多奈哌齐是目前用于治疗阿尔茨海默氏病的乙酰胆碱酯酶（AChE）抑制剂。电喷雾电离质谱（ESI-MS）和串联质谱（MS / MS）。在结构上，这些亚芳基-茚满酮化合物被认为是查耳酮的环状类似物。方法使用Q-TOF 2仪器获取ESI-MS和串联质谱。使用标准的分离和激发程序，通过在Q-TOF和LXQ线性离子阱质谱仪中获得的CID-MS（2-3）光谱分析碎片模式。结果所有的2-亚芳基茚满酮均显示出共同的碎裂途径，导致了（2（1），1' ）m / z 187处的A（+）产物离子和逆醛醇产物离子[（2，2（1））B（+）]，可以在B环中建立取代。注意到给电子和吸电子取代基对这些断裂途径的影响。OCH3，OH，NO2和Br取代基的存在产生了典型的片段化过程，使它们具有明确的指纹。提出了在B环上
• Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases
  申请人：Salter-Cid M. Luisa

  公开号：US20060025438A1

  公开（公告）日：2006-02-02

  Compositions and methods are disclosed for inhibiting semicarbazide-sensitive amine oxidase (SSAO), also known as vascular adhesion protein-1 (VAP-1). The compounds disclosed are amine-containing and amide-containing compounds. The compounds and compositions are useful for treatment of diseases, including inflammation, inflammatory diseases and autoimmune disorders.

  本发明揭示了一种抑制半卡巴肼敏感性胺基氧化酶（SSAO）的化合物和方法，SSAO也被称为血管黏附蛋白-1（VAP-1）。所揭示的化合物为含有胺基和酰胺基的化合物。这些化合物和组合物对于治疗炎症、炎症性疾病和自身免疫性疾病等疾病是有用的。
• Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases
  申请人：Salter-Cid M. Luisa

  公开号：US20070078157A1

  公开（公告）日：2007-04-05

  Compositions and methods are disclosed for inhibiting semicarbazide-sensitive amine oxidase (SSAO), also known as vascular adhesion protein-1 (VAP-1). The compounds disclosed are amine-containing and amide-containing compounds. The compounds and compositions are useful for treatment of diseases, including inflammation, inflammatory diseases and autoimmune disorders.

  本发明公开了抑制半卡巴肼敏感性胺氧化酶（SSAO），也称为血管黏附蛋白-1（VAP-1）的组合物和方法。所公开的化合物是含有胺基和酰胺基的化合物。这些化合物和组合物可用于治疗炎症、炎症性疾病和自身免疫性疾病等疾病。
• AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES
  申请人：SALTER-CID LUISA M.

  公开号：US20120172392A1

  公开（公告）日：2012-07-05

  Compositions and methods are disclosed for inhibiting semicarbazide-sensitive amine oxidase (SSAO), also known as vascular adhesion protein-1 (VAP-1). The compounds disclosed are amine-containing and amide-containing compounds. The compounds and compositions are useful for treatment of diseases, including inflammation, inflammatory diseases and autoimmune disorders.

  本文揭示了一种抑制半卡巴肼敏感性胺氧化酶（SSAO），也称为血管粘附蛋白-1（VAP-1）的组合物和方法。所揭示的化合物包括含胺和含酰胺的化合物。这些化合物和组合物对于治疗疾病，包括炎症、炎症性疾病和自身免疫性疾病非常有用。