2,3-dimethyl-4-methoxybenzyl chloride | 178049-16-6

• 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: 2,3-dimethyl-4-methoxybenzyl chloride
• 英文别名: 1-chloromethyl-4-methoxy-2,3-dimethyl-benzene；1-(chloromethyl)-4-methoxy-2,3-dimethylbenzene
• CAS: 178049-16-6
• 化学式: C₁₀H₁₃ClO
• mdl: MFCD11043478
• 分子量: 184.666
• InChiKey: SUFVHDRZEXESEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-dimethyl-4-methoxybenzyl chloride 、 三苯基膦 在 正己烷 作用下， 以 甲苯 、 正己烷 为溶剂， 反应 18.0h， 以to give the title phosphonium chloride as a white solid (1.93 g, 80% yield)的产率得到4-Methoxy-2,3-dimethylbenzyltriphenylphosphonium chloride
  参考文献：
  名称：

  Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation

  摘要：

  本发明提供了一种公式I的2-氨基-5-环烷基-海因酮化合物。本发明还提供了用于抑制β-分泌酶（BACE）和治疗β-淀粉样沉积物和神经原纤维缠结的方法和组合物。

  公开号：

  US20070027199A1
• 作为产物：
  描述：

  2,3-二甲基-4-甲氧基苯甲醇 在 氯化亚砜 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以22%的产率得到2,3-dimethyl-4-methoxybenzyl chloride
  参考文献：
  名称：

  Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation

  摘要：

  本发明提供了一种公式I的2-氨基-5-环烷基乙内酰脲化合物。 本发明还提供了一种用于抑制β-分泌酶（BACE）以及治疗β-淀粉样蛋白沉积和神经纤维缠结的方法和组合物。

  公开号：

  US20070027199A1

文献信息

• Antiviral ethers of aspartate protease substrate isosteres
  申请人：Ciba-Geigy Corporation

  公开号：US05663200A1

  公开（公告）日：1997-09-02

  Antiretroviral compounds (which are effective, for example, against HIV) of the formula I ##STR1## in which R.sub.1 is an acyl radical lower-alkoxyl-lower-alkanoyl whose lower alkoxy radical is unsubstituted or is substituted by halogen, phenyl, lower alkoxy or a heterocyclic radical selected from piperidinyl, pyrrolidinyl, tetrahydropyranyl, tetrahydrofuranyl, thiazolidinyl, thiazolyl, indolyl or 4H-1-benzopyranyl which is unsubstituted or substituted by oxo, hydroxyl, amine, lower alkyl, lower-alkoxycarbonyl and/or phenyl-lower-alkoxycarbonyl; lower alkanoyl which is unsubstituted or is substituted by one of the said unsubstituted or substituted heterocyclic radicals; arylcarbonyl or heterocyclylcarbonyl which are substituted by heterocyclyl or heterocyclyl-lower-alkyl; phenyl-lower-alkanoyl which is substituted by hydroxyl and lower alkyl; or arylsulfonyl; or the residue of an amino acid which is defined in accordance with the description (and which may be acylated on the amino nitrogen by one of the abovementioned acyl radicals); R.sub.2 and R.sub.3 are in each case cyclohexyl, cyclohexenyl, phenyl, naphthyl or tetrahydronaphthyl which are unsubstituted or substituted by lower alkyl, phenyl, cyanophenyl, phenyl-lower-alkyl, halogen, halo-lower-alkyl, cyano, hydroxyl, lower alkoxy, phenyl-lower-alkoxyl, pyridyl-lower-alkoxy, lower-alkoxy-lower-alkoxy, lower-alkoxycarbonyl-lower-alkoxy, carboxyl-lower-alkoxy, hydroxyl-lower-alkoxy, carbamoyl-lower-alkoxy, cyano-lower-alkoxy, and phenyl-lower-alkanesulfonyl which is unsubstituted or substituted by halogen; R.sub.4 is lower alkyl, cyclohexyl or phenyl; and R.sub.5 is lower alkyl; and n is 1 or 2, or salts thereof, are novel.

  式I中的抗逆转录病毒化合物（例如针对HIV有效）## STR1 ##其中R.sub.1是酰基较低的烷氧基较低的酰基，其较低的烷氧基未取代或被卤素，苯基，较低的烷氧基或从哌啶基，吡咯烷基，四氢吡喃基，四氢呋喃基，噻唑烷基，噻唑基，吲哚基或未取代或取代为氧代，羟基，氨基，较低的烷基，较低的烷氧羰基和/或苯基-较低的烷氧羰基选择的杂环基团取代；未取代或取代为上述未取代或取代的杂环基团之一的未取代或取代的较低烷酰基；被杂环基或杂环基较低烷基取代的苯基羰基或杂环基羰基；被羟基和较低烷基取代的苯基较低烷酰基；或苯基磺酰基；或根据描述定义的氨基酸残基（并且可以通过上述酰基之一在氨基氮上酰化）；R.sub.2和R.sub.3分别是未取代或取代的环己基，环己烯基，苯基，萘基或四氢萘基，其未取代或被较低烷基，苯基，氰基苯基-较低烷基，卤素，卤代较低烷基，氰基，羟基，较低烷氧基，苯基-较低烷氧基，吡啶基-较低烷氧基，较低烷氧基-较低烷氧基，较低烷氧基羰基-较低烷氧基，羧基-较低烷氧基，羟基-较低烷氧基，氨基甲酰-较低烷氧基，氰基-较低烷氧基和未取代或取代为卤素的苯基-较低烷基磺酰基；R.sub.4是较低的烷基，环己基或苯基；而R.sub.5是较低的烷基；n为1或2，或其盐，是新颖的。
• Methods for treating CNS disorders with 4-imidazole derivatives
  申请人：Galley Guido

  公开号：US20070197622A1

  公开（公告）日：2007-08-23

  The present invention relates to methods for treating depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R, Ar, R 1 , R 1′ , R 2 , and n are as defined in the specification and to their pharmaceutically active salts, racemic mixtures, enantiomers, optical isomers and tautomeric forms. The invention also relates to novel compounds of formula I, compositions containing them, and methods for their preparation.

  本发明涉及一种治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍、压力相关障碍、精神疾病，如精神分裂症、神经疾病，如帕金森病、神经退行性疾病，如阿尔茨海默病、癫痫、偏头痛、高血压、物质滥用和代谢性疾病，如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收的障碍、体温稳态的障碍和功能障碍、睡眠和昼夜节律的障碍以及心血管疾病的方法，包括向个体施用化合物I的治疗有效量，其中化合物I的R、Ar、R1、R1'、R2和n如规范中所定义，并且包括它们的药物活性盐、外消旋混合物、对映异构体和互变异构体。本发明还涉及化合物I的新型化合物、含有它们的组合物以及它们的制备方法。
• CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION
  申请人：Wyeth

  公开号：EP1910309A2

  公开（公告）日：2008-04-16
• EP1981880A2
  申请人：——

  公开号：EP1981880A2

  公开（公告）日：2008-10-22
• USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1981880B1

  公开（公告）日：2010-02-24