2-(3,4-dimethylphenyl)ethylamine hydrochloride | 5470-35-9

• 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-(3,4-dimethylphenyl)ethylamine hydrochloride
• 英文别名: 2-(3,4-Dimethylphenyl)ethan-1-amine hydrochloride；2-(3,4-dimethylphenyl)ethanamine;hydrochloride
• CAS: 5470-35-9
• 化学式: C₁₀H₁₅N*ClH
• 分子量: 185.697
• InChiKey: XBBBDOWBOFGSJI-UHFFFAOYSA-N

物化性质

• 熔点：
  218-220 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 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：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (R)-3-(4-methoxybenzyl)-2,3-dihydro-1H-benzo[d]imidazo[1,5-a]imidazol-1-one 、 2-(3,4-dimethylphenyl)ethylamine hydrochloride 、 三氟乙酸 生成 (R)-1-(1-(1H-benzo[d]imidazol-2-yl)-2-(4-methoxyphenyl)ethyl)-3-(3,4-dimethylphenethyl)urea
  参考文献：
  名称：

  BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS

  摘要：

  本发明涉及公式（I）的苯并咪唑基甲基脲衍生物，其中n，D，E，R1，R2，R3，R4，R6，R7，R8和R9如说明书所定义，它们的制备以及它们作为药物活性化合物的用途。

  公开号：

  US20160200686A1
• 作为产物：
  描述：

  3,4-二甲基苯基乙腈 在 氢气 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 以70%的产率得到2-(3,4-dimethylphenyl)ethylamine hydrochloride
  参考文献：
  名称：

  Role of the benzylic hydroxyl group of adrenergic catecholamines in eliciting α-adrenergic activity. Synthesis and α1- and α2-adrenergic activity of 3-phenyl-3-piperidinols and their desoxy analogs

  摘要：

  In order to contribute to the definition of the role played by the benzylic hydroxyl group of adrenergic catecholamines in eliciting alpha-adrenergic activity, certain 3-phenyl-3-piperidinols (PPOs, 4) and their corresponding desoxy 3-phenylpiperidine analogs (PPEs, 6) were synthesized and tested for their alpha(1)- and alpha(2)-adrenergic activity be means of functional tests on isolated preparations. As regards the alpha(1)-adrenergic activity, the values of the activity indices of the cyclic catecholic compounds (PPO 4a and PPE 6a) indicate that the benzylic hydroxyl does not play an essential role, provided that the other two active groups are in the pharmacophoric conformation. However, the fact that none of the other non-catecholic cyclic analogs are active on the alpha(1)-receptor does not allow us to generalize this observation. As regards the alpha(2)-adrenergic activity, the high values of the activity indices of PPEs 6, compared with those of the corresponding 1-phenyl-2-aminoethanols (PAEs, 3), PPOs (4) and 2-phenylethylamines (PEAs, 5), confirm that when the aromatic moiety and the amino group are constrained into the pharmacophoric relationship, the presence of the alcoholic hydroxyl is not only unnecessary for the purposes of the expression of the activity at the level of the alpha(2)-adrenoceptor, but often has a negative effect.

  DOI：

  10.1016/0223-5234(96)88306-1

文献信息

• [EN] BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLYL-MÉTHYLURÉE EN TANT QU'AGONISTES DU RÉCEPTEUR ALX
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015019325A1

  公开（公告）日：2015-02-12

  The present invention relates to benzimidazolyl-methyl urea derivatives of formula (I), wherein n, D, E, R1, R2, R3, R4, R6, R7, R8 and R9 are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  本发明涉及式(I)的苯并咪唑基甲基脲衍生物，其中n、D、E、R1、R2、R3、R4、R6、R7、R8和R9如描述中所定义，它们的制备以及它们作为药用活性化合物的用途。
• [EN] BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS<br/>[FR] DÉRIVÉS DE SPIRO[2.4]HEPTANE PONTÉS UTILES EN TANT QU'AGONISTES DU RÉCEPTEUR DE ALX ET/OU DU RÉCEPTEUR FPRL2
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010134014A1

  公开（公告）日：2010-11-25

  The present invention relates to bridged spiro[2.4]heptane derivatives of formula (I), wherein W, Y, Z, R1 and R2 are as defined in the description, their preparation and their use as pharmaceutically active compounds as ALX receptor and/or FPRL2 agonists for the treatment of inflammatory and obstructive airways diseases.

  本发明涉及桥式螺[2.4]庚烷衍生物的化学式(I)，其中W、Y、Z、R1和R2如描述中所定义，它们的制备及其作为药用活性化合物的ALX受体和/或FPRL2激动剂在治疗炎症性和梗阻性气道疾病中的用途。
• BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS
  申请人：Bur Daniel

  公开号：US20120115841A1

  公开（公告）日：2012-05-10

  The present invention relates to bridged spiro[2.4]heptane derivatives of formula (I), wherein W, Y, Z, R 1 and R 2 are as defined in the description, their preparation and their use as pharmaceutically active compounds as ALX receptor and/or FPRL2 agonists for the treatment of inflammatory and obstructive airways diseases.

  本发明涉及桥联螺[2.4]庚烷衍生物，其化学式为（I），其中W、Y、Z、R1和R2如描述中所定义，其制备以及作为药物活性化合物的ALX受体和/或FPRL2激动剂用于治疗炎症和阻塞性呼吸道疾病。
• BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2432760A1

  公开（公告）日：2012-03-28
• EP3030560A1
  申请人：——

  公开号：EP3030560A1

  公开（公告）日：2016-06-15