N-<(3,4-dichlorophenyl)methylene>-2,2-dimethoxyethanamine | 73274-27-8

• 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: N-<(3,4-dichlorophenyl)methylene>-2,2-dimethoxyethanamine
• 英文别名: (3,4-dichlorobenzylidene)(2,2-dimethoxyethyl)amine；1-(3,4-dichlorophenyl)-N-(2,2-dimethoxyethyl)methanimine
• CAS: 73274-27-8
• 化学式: C₁₁H₁₃Cl₂NO₂
• 分子量: 262.136
• InChiKey: SBKAZCRIQHHGOH-UHFFFAOYSA-N

物化性质

• 沸点：
  324.9±42.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-<(3,4-dichlorophenyl)methylene>-2,2-dimethoxyethanamine 在 platinum(IV) oxide sodium hydroxide 、 三氯化铝 、 苄基三乙基氯化铵 、 氢气 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 25.0 ℃ 、137.9 kPa 条件下， 反应 7.17h， 生成 1-(1,1,5,6-tetrachloro-3,7b-dihydro-1aH-cyclopropa[c]isoquinolin-2-yl)ethanone
  参考文献：
  名称：

  Facile synthesis of halo-substituted tetrahydroisoquinolines and tetrahydro-2-benzazepines via N-acetyl-1,2-dihydroisoquinolines

  摘要：

  DOI：

  10.1021/jo01298a038
• 作为产物：
  描述：

  3,4-二氯苯甲醛 、 氨基乙醛缩二甲醇 在 氮气 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以to give the title compound as an orange-brown oil (˜36 g, quantitative)的产率得到N-<(3,4-dichlorophenyl)methylene>-2,2-dimethoxyethanamine
  参考文献：
  名称：

  Non-natural nucleotides and dinucleotides

  摘要：

  公式（1）的核苷酸衍生物被描述如下：其中：G是氢原子或可选择取代的脂肪，杂脂肪，环脂肪，多环脂肪，芳香或杂芳基团或非天然核苷酸，如此处所定义；G'是如此处所定义的非天然核苷酸；n为零或整数1或2；m为零或整数1或2；以及其盐，溶剂化合物，水合物和N-氧化物。这些化合物是P2Y受体激动剂，用于预防和治疗涉及异常分泌机制的疾病和障碍，如粘液纤毛清除机制功能不足或泪液分泌异常，或用于治疗涉及不适当的细胞葡萄糖摄取的疾病。

  公开号：

  US20040122223A1

文献信息

• Non-natural nucleotides and dinucleotides
  申请人：——

  公开号：US20040122223A1

  公开（公告）日：2004-06-24

  Nucleotide derivatives of formula (1) are described: wherein: G is a hydrogen atom or an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, polycycloaliphatic, aromatic or heteroaromatic group or a non-natural nucleoside as defined herein; G′ is a non-natural necleoside as defined herein; n is zero, or the integer 1 or 2; m is zero or the integer 1 or 2; and the salts, solvates, hydrates and N-oxides thereof. The compounds are P2Y receptor agonists and are of use in the prophylaxis and treatment of diseases and disorders involving abnormal secretory mechanisms such as inadequate functioning of mucociliary clearance mechanisms or abnormal tear secretion or in the treatment of diseases involving inappropriate cellular glucose uptake.

  公式（1）的核苷酸衍生物被描述如下：其中：G是氢原子或可选择取代的脂肪，杂脂肪，环脂肪，多环脂肪，芳香或杂芳基团或非天然核苷酸，如此处所定义；G'是如此处所定义的非天然核苷酸；n为零或整数1或2；m为零或整数1或2；以及其盐，溶剂化合物，水合物和N-氧化物。这些化合物是P2Y受体激动剂，用于预防和治疗涉及异常分泌机制的疾病和障碍，如粘液纤毛清除机制功能不足或泪液分泌异常，或用于治疗涉及不适当的细胞葡萄糖摄取的疾病。
• Multisubstrate inhibitors of dopamine .beta.-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site
  作者：Lawrence I. Kruse、Carl Kaiser、Walter E. DeWolf、James S. Frazee、Stephen T. Ross、Joyce Wawro、Merrie Wise、Kathryn E. Flaim、John L. Sawyer

  DOI：10.1021/jm00386a008

  日期：1987.3

  1-Aralkylimidazole-2-thiones have been shown to be potent multisubstrate inhibitors of dopamine beta-hydroxylase (DBH; EC 1.14.17.1). In the present study, a series of 1-benzylimidazole-2-thiones was prepared to explore the effects of substitution in the benzyl ring on the inhibition of DBH. A detailed structure-activity relationship for in vitro activity was discovered and this was shown by a modified Hansch analysis to correlate (r = 0.91) with four key structural features of the benzyl ring: the presence of a hydroxyl at the 4-position, molar refractivity at the 3-, 4-, and 5-positions, inductive effects of the substituents at the 3-, 4-, and 5-positions, and pi-electron density. The affinity (Kis) of eight substituted inhibitors for DBH was shown to correlate (r = 0.75) with the affinity (KD) of comparably substituted tyramines for the ternary DBH-oxygen-tyramine complex. This correlate is used to support the hypothesis that binding of inhibitor to DBH occurs in a fashion that mimics the binding of tyramine substrates. The most potent inhibitors were selected for study in vivo in the spontaneously hypertensive rat model of hypertension. The changes in vascular dopamine and norepinephrine levels that resulted from oral administration of the inhibitors corresponded to the observed reduction in mean arterial blood pressure. A divergence between in vitro potency and in vivo efficacy upon oral dosing was noted and is suggested to result from an in vivo metabolic conjugation of the phenolic group of inhibitor.
• Synthesis of novel substituted isoquinolones
  作者：Nicolas Briet、Michael H Brookes、Richard J Davenport、Frances C.A Galvin、Philip J Gilbert、Stephen R Mack、Verity Sabin

  DOI：10.1016/s0040-4020(02)00573-2

  日期：2002.7

  A series of novel substituted isoquinolones have been synthesised. This has been achieved by two routes, either Curtius rearrangment of cinnamic acids or via an isoquinoline N-oxide. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Facile synthesis of halo-substituted tetrahydroisoquinolines and tetrahydro-2-benzazepines via N-acetyl-1,2-dihydroisoquinolines
  作者：Carl D. Perchonock、Ivan Lantos、Joseph A. Finkelstein、Kenneth G. Holden

  DOI：10.1021/jo01298a038

  日期：1980.5