4-(4-苯基甲氧基苯基)丁醛 | 69172-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(4-苯基甲氧基苯基)丁醛
• 英文名称: 4-(4-Benzyloxyphenyl)butanal
• 英文别名: 4-(p-benzyloxyphenyl)butylaldehyde；Benzenebutanal, 4-(phenylmethoxy)-；4-(4-phenylmethoxyphenyl)butanal
• CAS: 69172-21-0
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: JTIOHUDUWZWUCO-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿；二氯甲烷；甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-苯基甲氧基苯基)丁醛 在 palladium dihydroxide sodium hydroxide 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 6-(4-羟苯基)己酸
  参考文献：
  名称：

  Initial structure–activity relationship of a novel class of nonpeptidyl GnRH receptor antagonists: 2-arylindoles

  摘要：

  A nonpeptidyl GnRH receptor antagonist (1), with a unique 2-arylindole core, was identified through the Merck inhouse screening for binding affinity on the rat GnRH receptor. SAR studies directed toward the alkoxy-ethanolamine and 2-aryl groups resulted in a simpler lead structure with improved activity. This compound 50 exhibits a 60-fold improvement in binding activity over our initial lead 1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00707-1
• 作为产物：
  描述：

  4-(4-(苄氧基)苯基)丁酸 在 二甲羟胺盐酸盐 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到4-(4-苯基甲氧基苯基)丁醛
  参考文献：
  名称：

  Initial structure–activity relationship of a novel class of nonpeptidyl GnRH receptor antagonists: 2-arylindoles

  摘要：

  A nonpeptidyl GnRH receptor antagonist (1), with a unique 2-arylindole core, was identified through the Merck inhouse screening for binding affinity on the rat GnRH receptor. SAR studies directed toward the alkoxy-ethanolamine and 2-aryl groups resulted in a simpler lead structure with improved activity. This compound 50 exhibits a 60-fold improvement in binding activity over our initial lead 1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00707-1

文献信息

• Mevalonolactone derivatives
  申请人：Sankyo Company Limited

  公开号：US04198425A1

  公开（公告）日：1980-04-15

  This invention concerns novel mevalonolactone derivatives having the formula ##STR1## wherein A represents a direct linkage, methylene, ethylene, trimethylene or vinylene group; R.sup.1 represents hydrogen atom, or an aliphatic acyl group, benzoyl group, or a benzoyl group substituted with hydroxy, lower alkoxy, aliphatic acyloxy or halogen; R.sup.2 represents hydrogen atom, a halogen atom or methyl group; and R.sup.3, R.sup.4 and R.sup.5 are same or different and each represents hydrogen atom, a halogen atom, a lower alkyl group with or without halogen as the substituent, phenyl group, or a phenyl group substituted with halogen, lower alkoxy, aliphatic acyloxy or lower alkyl with or without halogen, or a group represented by the formula R.sup.6 O-- (in the formula, R.sup.6 means hydrogen atom, an aliphatic acyl group, benzoyl group, phenyl group, a phenylalkyl group, cinnamyl group, or a group of benzoyl, phenyl, phenylalkyl or cinnamyl in all of which the aromatic ring is substituted with hydroxy, halogen, lower alkoxy, aliphatic acyloxy or lower alkyl with or without halogen as the substituent, or a lower alkyl group with or without halogen as the substituent). The compounds are useful for the treatment of hyperlipidemia. They may be prepared by halo-lactonizing the corresponding .gamma.,.delta.-unsaturated carboxylic acid derivatives and optionally dehalogenating the resulting product, or lactonizing the corresponding .delta.-hydroxy-carboxylic acid derivatives.

  这项发明涉及具有以下结构的新型麦瓦酮内酯衍生物：其中A代表直链，亚甲基，乙烯基，三亚甲基或乙烯基；R.sup.1代表氢原子，或脂肪酰基，苯甲酰基，或苯甲酰基上带有羟基，较低的烷氧基，脂肪酰氧基或卤素基；R.sup.2代表氢原子，卤素原子或甲基基团；R.sup.3，R.sup.4和R.sup.5相同或不同，每个代表氢原子，卤素原子，带或不带卤素作为取代基的较低烷基，苯基，或带卤素，较低烷氧基，脂肪酰氧基或较低烷基，带或不带卤素的苯基，或由以下式表示的基团R.sup.6 O--（在该式中，R.sup.6代表氢原子，脂肪酰基，苯甲酰基，苯基，苯基烷基，肉桂酰基，或苯甲酰，苯基，苯基烷基或肉桂酰基的基团，其中芳香环被羟基，卤素，较低烷氧基，脂肪酰氧基或较低烷基取代或带或不带卤素作为取代基，或带或不带卤素的较低烷基）。这些化合物对治疗高脂血症有用。它们可以通过卤代内酯化相应的γ，δ-不饱和羧酸衍生物并可选择性地去卤生成的产物，或内酯化相应的δ-羟基-羧酸衍生物来制备。
• Mevalonolactone derivatives as inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
  作者：AIYA SATO、HIROSHI NOGUCHI、SEIJI MITSUI、ISAO KANEKO、YOKO SHIMADA

  DOI：10.1248/cpb.28.1509

  日期：——

  Mevalonolactone derivatives were prepared via stereo-and regioselective bromolactonization of γ, δ-unsaturated acids and their structure-activity relationship in connection with their inhibitory activity in vitro against 3-hydroxy-3-methylglutaryl coenzyme A (HMG CoA) reductase, a rate-limiting enzyme in cholesterol biosynthesis, was investigated.

  通过对γ, δ-不饱和酸进行立体选择性和区域选择性的溴内酯化反应制备了美瓦龙内酯衍生物，并研究了它们在体外对3-羟基-3-甲基谷氨酰辅酶A（HMG CoA）还原酶的抑制活性与其结构-活性关系，该酶是胆固醇生物合成中的限速酶。
• Stereoselective Total Synthesis of Phenolic Nonadecanediol
  作者：Baggu Chinnababu、Sudina Purushotham Reddy、Kunuru Venkatesham、Dasireddi Chandra Rao、Yenamandra Venkateswarlu

  DOI：10.1002/hlca.201300221

  日期：2014.5

  A simple and highly efficient synthetic route has been developed for synthesis of 1‐(4‐hydroxyphenyl)nonadecane‐3,5‐diol (1). The two stereogenic centers were generated by employing proline asymmetric α‐hydroxylation (MacMillan α‐hydroxylation), Jacobsen's hydrolytic kinetic resolution (HKR), and, finally, Yamaguchi oxirane opening as key steps (Scheme 2).

  已开发出一种简单且高效的合成路线来合成1-（4-羟基苯基）十八碳三烯-3,5-二醇（1）。这两个立体生成中心是通过采用脯氨酸不对称α-羟基化（MacMillanα-羟基化），Jacobsen的水解动力学拆分（HKR）以及最后将Yamaguchi环氧乙烷打开作为关键步骤而生成的（方案2）。
• Process of protecting a 1,2-aminoalcohol for reductive amination coupling
  申请人：Abbott Laboratories

  公开号：US05874601A1

  公开（公告）日：1999-02-23

  A process of protecting a 1,2- or 1,3-aminoalcohol for reductive amination coupling is provided. The alcohol is protected with trimethylsilyl chloride. Trimethylsilyl protected norepinephrine derivatives useful in the preparation of arbutamine are also provided.

  提供了一种保护1,2-或1,3-氨基醇进行还原胺偶联反应的过程。该醇用三甲基氯硅烷进行保护。还提供了三甲基硅保护的去甲肾上腺素衍生物，可用于制备阿布胺。
• Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist
  申请人：GENSIA, INC.

  公开号：EP0658538A1

  公开（公告）日：1995-06-21

  Methods and devices for the diagnosis, evaluation and treatment of coronary artery disease (CAD) by means of a closed loop drug delivery system that delivers a catecholamine exercise simulating agent, some of which are novel, which elicit both acute and adaptive cardiovascular responses similar to those elicited by aerobic activity are provided. The acute responses to the exercise simulating agent are used to diagnose and evaluate CAD in lieu of the acute responses to aerobic exercise. Due to their adaptive responses these compounds may be used to treat CAD in lieu of the adaptive responses caused by aerobic exercise training or to treat other conditions which the adaptive responses caused by aerobic exercise are desirable.

  本研究提供了诊断、评估和治疗冠状动脉疾病（CAD）的方法和设备，这些方法和设备通过闭环给药系统输送儿茶酚胺运动模拟剂（其中一些是新型的），这种运动模拟剂可引起与有氧运动类似的急性和适应性心血管反应。对运动模拟剂的急性反应可代替有氧运动的急性反应，用于诊断和评估 CAD。由于其适应性反应，这些化合物可用于治疗 CAD，以替代有氧运动训练引起的适应性反应，或用于治疗其他需要有氧运动引起的适应性反应的病症。