3,5-dimethylbenzylamine hydrochloride | 3858-80-8

• 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: 3,5-dimethylbenzylamine hydrochloride
• 英文别名: (3,5-Dimethylphenyl)methanamine hydrochloride；(3,5-dimethylphenyl)methanamine;hydrochloride
• CAS: 3858-80-8
• 化学式: C₉H₁₃N*ClH
• 分子量: 171.67
• InChiKey: ZUAMHZPTTLGZSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.95
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-dimethylbenzylamine hydrochloride 在 sodium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 以5.68 g的产率得到3,5-二甲基苄胺
  参考文献：
  名称：

  芬太尼类似物及其应用

  摘要：

  芬太尼类似物及其应用，化合物符合下述结构通式：其中，R1为氢、甲基、羟基、甲氧基、卤素、氰基，R2为苯基、苄基、3,5‑二甲基苄基。本发明的化合物体现μ‑阿片受体激动作用，弱β‑arrestin2(抑制素蛋白2)招募作用。因此，本发明的化合物可作为镇痛药物，可以克服激活β‑arrestin2信号通路导致的呼吸抑制作用。

  公开号：

  CN108503579B
• 作为产物：
  描述：

  3,5-二甲基苯腈 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 盐酸 作用下， 以 异丙醇 、 1,4-二氧六环 为溶剂， 200.0 ℃ 、10.0 MPa 条件下， 生成 3,5-dimethylbenzylamine hydrochloride
  参考文献：
  名称：

  快速连续钌催化芳香腈转移氢化成伯胺

  摘要：

  报道了一种将芳香腈选择性还原为相应胺的连续流动方法。该方法基于钌催化的转移加氢过程，不需要添加剂，并使用异丙醇作为溶剂和还原剂。该工艺使用 1 mol% 的市售 [Ru(p-cymene)Cl 2 ] 2 ，停留时间约为 9 分钟，吞吐量为 50 毫摩尔/小时。该方法成功应用于一系列芳族腈，以良好的收率提供相应的伯胺。

  DOI：

  10.1055/s-0036-1589096

文献信息

• Using ruthenium-catalysed propargylic substitutions for the efficient syntheses of rotaxanes
  作者：Yuji Tokunaga、Nobuhiko Kawai、Youji Shimomura

  DOI：10.1016/j.tetlet.2007.05.116

  日期：2007.7

  This Letter describes an efficient method—one that takes advantage of hydrogen bond-guided self-assembly and ruthenium-catalysed propargylic substitution—for the preparation of rotaxanes. The substitution reactions of a pseudorotaxane with a diverse range of heteroatom- and carbon-atom-centred nucleophiles were catalysed by the [(Cp∗)RuCl(SMe)]2 complex to furnish rotaxanes in good yields.

  这封信描述了一种有效的方法（利用氢键引导的自组装和钌催化的炔丙基取代）来制备轮烷。[（Cp ∗）RuCl（SMe）] 2配合物催化拟轮烷与多种以杂原子和碳原子为中心的亲核试剂的取代反应，从而以高收率提供轮烷。
• Dynamic covalent chemistry of a boronylammonium ion and a crown ether: formation of a C3-symmetric [4]rotaxane
  作者：Yuji Tokunaga、Takashi Ito、Hidetoshi Sugawara、Ryuji Nakata

  DOI：10.1016/j.tetlet.2008.03.106

  日期：2008.5

  This Letter describes an efficient method for constructing a C3-symmetric [4]rotaxane through hydrogen bond-guided self-assembly and boroxine formation. The reactions proceed under mild conditions in solution, with entropically driven forces promoting the formation of the [4]rotaxane.

  这封信描述了一种通过氢键引导的自组装和环硼氧烷形成C 3对称的[4]轮烷的有效方法。反应在溶液中的温和条件下进行，通过熵驱动力促进[4]轮烷的形成。
• Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP1151990A1

  公开（公告）日：2001-11-07

  The compounds of the formula: wherein R1, R2, R3 and A are as defined herein are useful, via potassium channel modulation, in the treatment of disorders associated with smooth muscle contraction. Such disorders include, but are not limited to, urinary incontinence, hypertension, asthma, premature labor, irritable bowel syndrome, congestive heart failure, angina and cerebral vascular disease.

  式中的化合物 其中 R1、R2、R3 和 A 如本文所定义，通过调节钾通道，可用于治疗与平滑肌收缩有关的疾病。这些疾病包括但不限于尿失禁、高血压、哮喘、早产、肠易激综合征、充血性心力衰竭、心绞痛和脑血管疾病。
• Anxiolytic activity of analogues of 4-benzylamino-2-methyl-7H-pyrrolo[2,3-d]pyrimidines
  作者：Eric A. Meade、Marcos Sznaidman、Gerald T. Pollard、Lilia M. Beauchamp、James L. Howard

  DOI：10.1016/s0223-5234(98)80003-2

  日期：1998.6

  An extensive series of analogues of the lead anxiolytic 4-benzylamino-2-methylpyrrolo[2,3-d]pyrimidine 1 was synthesized and evaluated in the Geller-Seifter conflict test for anxiolytic activity to discover a less toxic derivative. Analysis of the SAR revealed that the most potent compounds were those with meta substituents on the benzylamino ring. In this group the most promising derivatives were 4-[bis(3,5-dimethylamino)]benzylamino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine 12 and 4-(3,5-dimethylbenzylamino)-2-methyl-7H-pyrrolo [2,3-d]pyrimidine 24. Potential metabolites of 12 were synthesized and checked for their anxiolytic activity. Less toxic analogues of the second lead 24 were prepared by extending the alkyl groups attached to the benzene ring moiety. The addition of a fluoro substituent to the benzene moiety in the extended alkyl chain analogue 4-(3,5-diethyl-2-fluorobenzylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine 34 resulted in a compound with a longer duration of activity relative to its analogue 4-(3,5-diethylbenzylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine 26. (C) Elsevier, Paris.
• Efficient Synthesis of [2]Rotaxanes Based on Sequential Acetylene-Dicobalt Hexacarbonyl Complexation and Stopper Modification
  作者：Yuji Tokunaga、Norihiro Ohiwa、Go Ohta、Yuji Yamauchi、Tatsuhiro Goda、Nobuhiko Kawai、Takumichi Sugihara、Youji Shimomura、Tomonori Hoshi

  DOI：10.3987/com-08-s(f)83

  日期：——

  This paper describes an efficient end-capping method for the preparation of [2]rotaxanes, using acetylene-dicobalt hexacarbonyl complexation and subsequent transformation of the complexes into a series of vinylsilanes though hydrosilylation.