3-(3-Bromophenyl)propyl methanesulfonate | 165803-62-3

• 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: 3-(3-Bromophenyl)propyl methanesulfonate
• CAS: 165803-62-3
• 化学式: C₁₀H₁₃BrO₃S
• 分子量: 293.181
• InChiKey: DPQQIIAMJGDWSO-UHFFFAOYSA-N

物化性质

• 沸点：
  427.6±28.0 °C(Predicted)
• 密度：
  1.474±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-Bromophenyl)propyl methanesulfonate 在 palladium on activated charcoal 盐酸 、 manganese(IV) oxide 、 sodium chlorite 、 sodium tetrahydroborate 、 sodium dihydrogenphosphate 、 copper(l) iodide 、 四(三苯基膦)钯 、 正丁基锂 、 sodium azide 、 samarium diiodide 、 2-甲基-2-丁烯 、 草酰氯 、 氰基磷酸二乙酯 、 水 、 氢气 、 戴斯-马丁氧化剂 、 氟化氢吡啶 、 二甲基亚砜 、 二乙胺 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 正己烷 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 198.83h， 生成 11-hydroxy-3-aza-1(2,7)-naphthalena-7(1,3)-benzenacyclododecaphan-2-one
  参考文献：
  名称：

  Enzymatic Approach to Unnatural Glycosides with Diverse Aglycon Scaffolds Using Glycosyltransferase VinC

  摘要：

  Glycosyltransferase VinC was explored for a construction of glycoside libraries using dTDP-vicenisamine and structurally unrelated unnatural aglycons, and new unnatural vicenisaminides were successfully constructed. Structural elements of aglycon recognition by VinC were proposed by modeling studies and were confirmed by the success of transglycosylation upon a designed aglycon.

  DOI：

  10.1021/ja042848j
• 作为产物：
  描述：

  3-溴肉桂酸 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-(3-Bromophenyl)propyl methanesulfonate
  参考文献：
  名称：

  Enzymatic Approach to Unnatural Glycosides with Diverse Aglycon Scaffolds Using Glycosyltransferase VinC

  摘要：

  Glycosyltransferase VinC was explored for a construction of glycoside libraries using dTDP-vicenisamine and structurally unrelated unnatural aglycons, and new unnatural vicenisaminides were successfully constructed. Structural elements of aglycon recognition by VinC were proposed by modeling studies and were confirmed by the success of transglycosylation upon a designed aglycon.

  DOI：

  10.1021/ja042848j

文献信息

• DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS
  申请人：Abouabdellah Ahmed

  公开号：US20070027141A1

  公开（公告）日：2007-02-01

  The present invention comprises alkylpiperazine- and alkylhomopiperazine carboxylates and their derivatives, methods for their preparation and the therapeutic use thereof as fatty acid amido hydrolase (FAAH) enzyme inhibitors. These derivatives exert various pharmacological activities by interacting, inter alia, with cannabinoid and vanilloid receptors. By inhibiting the metabolic activity of the FAAH enzyme, compounds often responsible for the onset of disease and other pathological conditions are not generated and the incidence of the disease is greatly reduced.

  本发明涉及烷基哌嗪和烷基同源哌嗪羧酸盐及其衍生物，其制备方法以及作为脂肪酸酰胺水解酶（FAAH）酶抑制剂的治疗用途。这些衍生物通过与大麻素和辣椒素受体等相互作用，发挥各种药理活性。通过抑制FAAH酶的代谢活性，通常导致疾病发作和其他病理状况的化合物不会生成，疾病的发生率大大降低。
• Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders
  申请人：Scott Ian Leslie

  公开号：US20090062353A1

  公开（公告）日：2009-03-05

  Provided are alkynyl phenyl derivative compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  本发明提供了炔基苯衍生物化合物，其药物组成物及使用该化合物和组成物治疗眼科疾病和疾患的方法，例如老年性黄斑变性和斯塔格特病。
• Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders
  申请人：Scott Ian Leslie

  公开号：US20120004269A1

  公开（公告）日：2012-01-05

  Provided are alkynyl phenyl derivative compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  本发明提供了炔基苯衍生物化合物、其制药组合物以及使用该化合物和组合物治疗眼科疾病和障碍的方法，例如老年性黄斑变性和Stargardt病。
• ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Scott Ian Leslie

  公开号：US20130018077A1

  公开（公告）日：2013-01-17

  Provided are alkynyl phenyl derivative compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  本发明提供了炔基苯衍生物化合物、其制药组合物以及使用该化合物和组合物治疗眼科疾病和疾病的方法，例如老年性黄斑变性和Stargardt病。
• [EN] ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS<br/>[FR] DÉRIVÉS D'ALCYNYLPHÉNYLE POUR TRAITER LES MALADIES ET LES AFFECTIONS OPHTALMIQUES
  申请人：ACUCELA INC

  公开号：WO2009005794A3

  公开（公告）日：2009-02-19