1-(2,3-dimethylbenzyl)piperidine | 54167-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(2,3-dimethylbenzyl)piperidine
• 英文别名: 1-[(2,3-dimethylphenyl)methyl]piperidine
• CAS: 54167-58-7
• 化学式: C₁₄H₂₁N
• 分子量: 203.327
• InChiKey: MYVSETBFBZAQCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2,3-dimethylbenzyl)piperidine 、 溶剂黄146 生成 acetic acid;1-[(2,3-dimethylphenyl)methyl]piperidine
  参考文献：
  名称：

  GASANOVA M. M.; ARABOV A. K.; VABAXANOV R. A.; AXUNDOV A. A., MEHPYZHEHLEHR. AZSSR ELMLEHR AKAD., DOKL. AN AZSSR, 1979, 35, HO 11, 67-7+

  摘要：

  DOI：
• 作为产物：
  描述：

  7-methyl-1,6,7,7a-tetrahydrospiro[isoindole-2,1'-piperidin]-2-ium bromide 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 1-(2,3-dimethylbenzyl)piperidine 、 1-(2,6-dimethylbenzyl)piperidine
  参考文献：
  名称：

  Base catalyzed intramolecular cyclization of dialkycrotyl(3-alkenylpropyn-2-yl)ammonium salts and aqueous base fission of 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides

  摘要：

  Cyclization of dimethylcrotyl(3-vinyl-or-3-isopropenylpropyn-2-yl)ammonium bromides in the presence of base gave a mixture of the isomeric 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides. Basic fission of the salts obtained at increased temperature gave a mixture of the isomeric N,N-disubstituted di-and trimethylbenzylamines whose structures were confirmed by their IR, H-1 NMR, and C-13 NMR spectra.

  DOI：

  10.1007/s10593-008-0090-9

文献信息

• [EN] OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND<br/>[FR] FORMULATION OPHTALMOLOGIQUE DE COMPOSÉ D'INHIBITEUR DE LA KINASE RHO
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2009155209A1

  公开（公告）日：2009-12-23

  The present invention relates to an aqueous pharmaceutical formulation comprising at least one inhibitor of Rho-associated protein kinase (ROCK). The aqueous pharmaceutical formulation comprises 0.01-0.4% w/v of ROCK inhibitor(s), a non-ionic surfactant in an amount of 0.01-2% w/v, and a tonicity agent to maintain a tonicity between 220-360 mOsm/kG, at a pH between 6.3 to 7.8, wherein the ROCK inhibitor, the surfactant, and the tonicity agent are compatible in the formulation. The aqueous ophthalmic formulations of this invention have an increased ocular bioavailability and/or aqueous humor concentrations without a concomitant increase in systemic concentrations. The present invention further provides a method of reducing intraocular pressure, particularly a method of treating glaucoma, by administering the aqueous pharmaceutical formulation to a subject.
• [EN] METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS<br/>[FR] PROCÉDÉ POUR TRAITER DES MALADIES PULMONAIRES EN UTILISANT DES COMPOSÉS INHIBITEURS DE KINASE RHO
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2010065782A1

  公开（公告）日：2010-06-10

  This invention relates to methods of treating pulmonary diseases in patients that beta adrenergic receptor agonist therapy is not effective. The method comprises the steps of: identifying a patient who suffers from a pulmonary disease and has reduced responsiveness to treatment with one or more beta adrenergic receptor agonists, and administering to the patient an effective amount of a Rho kinase inhibitor compound, wherein said pulmonary disease is selected from the group consisting of: asthma, chronic obstructive pulmonary disease, respiratory tract illness caused by respiratory syncytial virus infection such as RSV-induced wheezing, airway hyperreactivity, or bronchiolitis, bronchiectasis, alpha-1-antitrypsin deficiency, lymphangioleiomyomatosis, cystic fibrosis, bronchiolitis or wheezing caused by agents other than respiratory syncytial virus, chronic bronchitis, and occupational lung diseases.
• Base catalyzed intramolecular cyclization of dialkycrotyl(3-alkenylpropyn-2-yl)ammonium salts and aqueous base fission of 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides
  作者：E. O. Chukhajian、M. K. Nalbandyan、A. R. Gevorkyan、K. G. Shakhatuni、G. A. Panosyan

  DOI：10.1007/s10593-008-0090-9

  日期：2008.6

  Cyclization of dimethylcrotyl(3-vinyl-or-3-isopropenylpropyn-2-yl)ammonium bromides in the presence of base gave a mixture of the isomeric 2,2-dialkyl-4-methyl-and 2,2-dialkyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1H-isoindolium bromides. Basic fission of the salts obtained at increased temperature gave a mixture of the isomeric N,N-disubstituted di-and trimethylbenzylamines whose structures were confirmed by their IR, H-1 NMR, and C-13 NMR spectra.
• GASANOVA M. M.; ARABOV A. K.; VABAXANOV R. A.; AXUNDOV A. A., MEHPYZHEHLEHR. AZSSR ELMLEHR AKAD., DOKL. AN AZSSR, 1979, 35, HO 11, 67-7+
  作者：GASANOVA M. M.、 ARABOV A. K.、 VABAXANOV R. A.、 AXUNDOV A. A.

  DOI：——

  日期：——