{4-[2-hydroxy-3-(tert-butylamino)propoxy]-3-methoxy}benzaldehyde | 193825-63-7

• 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: {4-[2-hydroxy-3-(tert-butylamino)propoxy]-3-methoxy}benzaldehyde
• 英文别名: vanidilol；4-(3-tert-butylamino-2-hydroxypropoxy)-3-methoxybenzaldehyde；4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxybenzaldehyde
• CAS: 193825-63-7
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: QWLFUSKVGCXHDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  {4-[2-hydroxy-3-(tert-butylamino)propoxy]-3-methoxy}benzaldehyde 在 盐酸羟胺 、 sodium acetate 作用下， 以 水 为溶剂， 反应 6.0h， 以57%的产率得到4-(3-tert-butylamino-2-hydroxypropoxy)-3-methoxybenzaldehyde oxime
  参考文献：
  名称：

  Coumar, Mohane S.; Jindal, Dharam P.; Bruni, Giancarlo, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2008, vol. 47, # 6, p. 903 - 909

  摘要：

  DOI：
• 作为产物：
  描述：

  1-tert-butylamino-3-[4-((tert-butylimino)methyl)-2-methoxyphenoxy]-propan-2-ol 在 溶剂黄146 作用下， 反应 3.0h， 以59.8%的产率得到{4-[2-hydroxy-3-(tert-butylamino)propoxy]-3-methoxy}benzaldehyde
  参考文献：
  名称：

  Coumar, Mohane S.; Jindal, Dharam P.; Bruni, Giancarlo, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2008, vol. 47, # 6, p. 903 - 909

  摘要：

  DOI：

文献信息

• The new generation dihydropyridine type calcium blockers, bearing 4-phenyl oxypropanolamine, display α-/β-Adrenoceptor antagonist and long-Acting antihypertensive activities
  作者：Jhy-Chong Liang、Jwu-Lai Yeh、Chia-Sui Wang、Shwu-Fen Liou、Chieh-Ho Tsai、Ing-Jun Chen

  DOI：10.1016/s0968-0896(01)00318-2

  日期：2002.3

  series of dihydropyridine linked with the 4-phenyl ring. These compounds were evaluated for inotropic, chronotropic, and aorta contractility that associated with calcium channel and adrenoceptor antagonist activities. Dihydropyridine derivatives that with oxypropanolamine side chain on their 4-phenyl ring associated alpha-/beta-adrenoceptor blocking activities created a new family of calcium entry and

  制备了一系列新的二氢吡啶衍生物，其在二氢吡啶碱的4位上的苯环上带有氧丙醇胺部分。环氧丙醇胺的合成方法是用表氯醇代替香草醛或其他具有苯基醛基的化合物的酚羟基，然后用叔丁胺，正丁胺或2-甲氧基-1-氧乙基氨基苯（愈创木氧基乙胺）裂解获得的环氧化合物。 ， 分别。然后通过分别与乙酰乙酸甲酯或乙酰乙酸乙酯的汉茨缩合反应进行反应，得到仍保留有苯基醛部分的各种羟丙醇胺化合物，得到我们新的与4-苯基环连接的二氢吡啶系列。对这些化合物进行了正性变力，变时性，与钙通道和肾上腺素受体拮抗剂活性有关的主动脉收缩性。在其4-苯环上具有羟丙醇胺侧链的二氢吡啶衍生物具有相关的α-/β-肾上腺素受体阻断活性，从而创造了一个新的钙进入家族和第三代β-肾上腺素受体阻断剂。通过优化这项研究，以在二氢吡啶系列化合物的4-苯环上获得更有效的α-/β-肾上腺素受体阻断作用和长效降压羟丙醇胺，并将其归类为第三代二氢吡啶类钙通道阻断剂
• A new aspect of view in synthesizing new type β-adrenoceptor blockers with ancillary antioxidant activities
  作者：Yeun-Chih Huang、Bin-Nan Wu、Jwu-Lai Yeh、Sheue-Jiun Chen、Jyh-Chong Liang、Yi-Ching Lo、Ing-Jun Chen

  DOI：10.1016/s0968-0896(01)00067-0

  日期：2001.7

  A series of vanilloid-type beta -adrenoceptor blockers derived from antioxidant traditional Chinese herbal medicines were synthesized and tested for their antioxidant and adrenoceptor antagonistic activities. They all possessed significant beta -adrenoceptor blocking activities under in vitro experiments and radioligand binding assays. In addition, some compounds were further examined in in vivo tests and produced antagonist effects matching that of propranolol and labetalol by measurements of antagonism coward (-) isoproterenol-induced tachycardia and (-)phenylephrine-induced presser responses in anesthetized rats. Furthermore. all of the compounds had antioxidant effects inherited from their original structures. In conclusion. compound 11 had the most potent beta -adrenoceptors blocking activity. 12 and 13 possessed high cardioselectivity, whereas 14, 15 and 16 possessed additional alpha -adrenoceptor blocking activity and 15 is the most effective antioxidant of all. The antioxidant activity may be due to their alpha and beta unsaturated side chain at position 1 and ortho-substituted methoxy moiety on 4-phenoxyethylamine. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Coumar, Mohane S.; Jindal, Dharam P.; Bruni, Giancarlo, Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2008, vol. 47, # 6, p. 903 - 909
  作者：Coumar, Mohane S.、Jindal, Dharam P.、Bruni, Giancarlo、Massarelli, Paola、Singh, Randhir、Sharma, Amit K.、Nandakumar、Bodhankar, Subhash L.

  DOI：——

  日期：——