2-异丙氧基苯甲酰氯 | 66849-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-异丙氧基苯甲酰氯
• 英文名称: 2-(isopropoxy)benzoyl chloride
• 英文别名: 2-Isopropoxybenzoyl chloride；2-propan-2-yloxybenzoyl chloride
• CAS: 66849-11-4
• 化学式: C₁₀H₁₁ClO₂
• mdl: MFCD11111058
• 分子量: 198.649
• InChiKey: CIYMDTDRZWFTTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2-异丙氧基苯甲酰氯 在 吡啶 、 lithium hydroxide 、 1-羟基苯并三唑一水物 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 8.0h， 生成 (Z)-4'-({4,4-difluoro-5-[(4,4-dimethylaminopiperidino)carbonylmethylene]-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl}carbonyl)-2-isopropoxybenzanilide
  参考文献：
  名称：

  Preparation of Non-peptide, Highly Potent and Selective Antagonists of Arginine Vasopressin V1A Receptor by Introduction of Alkoxy Groups

  摘要：

  一系列与4′-[(4,4-二氟-5-亚甲基-2,3,4,5-四氢-1H-1-苯并氮杂䓬-1-基)羰基]苯甲酰苯胺结构相关的化合物被合成并评估了其对抗精氨酸加压素（AVP）的活性。在苯甲酰苯胺的2′-位具有烷氧基（特别是乙氧基）的化合物对V1A受体相对于V2受体具有强的亲和力和选择性。进一步的研究表明，在羰基亚甲基上引入4,4-二甲基氨基哌啶和吗啉基团显示出对V1A受体更强的亲和力和选择性。因此，我们发现（Z）-4′-({4,4-二氟-5-[(4-二甲基氨基哌啶)羰基亚甲基]-2,3,4,5-四氢-1H-1-苯并氮杂䓬-1-基}羰基)-2-乙氧基苯甲酰苯胺单盐酸盐（8d）和（Z）-4′-[(4,4-二氟-5-吗啉氨基羰基亚乙基-2,3,4,5-四氢-1H-1-苯并氮杂䓬-1-基)羰基]-2-乙氧基苯甲酰苯胺（8q）具有强效且选择性的V1A受体拮抗活性。这些化合物的合成及其药理学特性在本论文中详细阐述。

  DOI：

  10.1248/cpb.51.1075
• 作为产物：
  描述：

  2-异丙氧基苯甲酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-异丙氧基苯甲酰氯
  参考文献：
  名称：

  通过PhI（OAc）2介导的级联螺旋环化无金属合成Spiro-2,2'-苯并[ b ]呋喃-3,3'-酮

  摘要：

  在室温下仅用PhI（OAc）2（PIDA）在室温下仅用PhI（OAc）2（PIDA）处理苄基保护的3-羟基-1,3-双（2-羟基苯基）丙-2-烯-1-酮很容易提供很少研究的spiro-2 ，2'-苯并[b]呋喃-3,3'-酮类产品具有令人满意的优异收率。高价碘试剂可实现无金属级联螺环化，从而形成双氧化C-O键。

  DOI：

  10.1002/adsc.201900652

文献信息

• Modulators (inhibitors/ activators) of histone acetyltransferases
  申请人：Kundu Kumar Tapas

  公开号：US20060167107A1

  公开（公告）日：2006-07-27

  Disclosed are compounds of the formulae: and method of using the compounds to treat cancer, AIDS, HIV infection, and asthma.

  揭示了以下式的化合物： 以及使用这些化合物治疗癌症、艾滋病、HIV感染和哮喘的方法。
• MODULATORS OF THE RELAXIN RECEPTOR 1
  申请人：The United States of America, as Represented by the Secretary, Dept. of Health & Human Services

  公开号：US20150119426A1

  公开（公告）日：2015-04-30

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R 1 , and R 2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。
• Nonpeptide Arginine Vasopressin Antagonists for Both V1A and V2 Receptors: Synthesis and Pharmacological Properties of 4'-(1,4,5,6-Tetrahydroimidazo[4,5-d][1]benzoazepine-6-carbonyl)benzanilide Derivatives and 4'-(5,6-Dihydro-4H-thiazolo[5,4-d][1]benzoazepine-6-carbonyl)benzanilide Derivatives.
  作者：Akira MATSUHISA、Nobuaki TANIGUCHI、Hiroyuki KOSHIO、Takeyuki YATSU、Akihiro TANAKA

  DOI：10.1248/cpb.48.21

  日期：——

  4,5,6-tetrahydroimidazo[4,5-d][1]benzoazepine-6- carbonyl)benzanilide and 4'-(5,6-dihydro-4H- thiazolo[5,4-d][1]benzoazepine-6-carbonyl)benzanilide were synthesized and examined for AVP antagonist activity for both V1A and V2 receptors. As a result, it was found that the 4'-(1,4,5,6-tetrahydroimidazo[4,5-d][1]benzoazepine-6-carbon yl)-2- phenylbenzanilide derivatives showed potent binding affinity

  精氨酸加压素（AVP）主要在外周具有双重作用，即通过V1A和V2受体进行血管收缩和水分吸收。它可能在多种疾病中起作用，包括充血性心力衰竭（CHF），高血压，肾脏疾病，水肿和低钠血症。我们基于对V1A和V2受体的阻断可能对CHF患者有益的假设，尝试开发出一系列针对V1A和V2受体的口服活性AVP拮抗剂。在此报告中，一系列与4'-（1,4,5,6-四氢咪唑并[4,5-d] [1]苯并氮杂氮杂-6-羰基）苯甲酰苯胺和4'-（5,6-合成了二氢-4H-噻唑并[5,4-d] [1]苯并ze庚因-6-羰基）苯甲酰苯并检查了其对V1A和V2受体的AVP拮抗剂活性。结果发现4'-（1,4,5，6-四氢咪唑并[4,5-d] [1]苯并ze庚因-6-碳基）-2-苯基苯甲腈衍生物对V1A和V2受体均显示强效结合亲和力。特别地，显示了4'-（2-甲基-1,4,5,6-四氢咪唑并[4,5-d] [1]苯并氮杂-6-
• Synthesis and Cyclic GMP Phosphodiesterase Inhibitory Activity of a Series of 6-Phenylpyrazolo[3,4-<i>d</i>]pyrimidones
  作者：Bernard Dumaître、Nerina Dodic

  DOI：10.1021/jm950812j

  日期：1996.1.1

  A series of 6-phenylpyrazolo[3,4-d]pyrimidones is described which are specific inhibitors of cGMP specific (type V) phosphodiesterase. Enzymatic and cellular activity as well as in vivo oral antihypertensive activity are evaluated. A n-propoxy group at the 2-position of the phenyl ring is necessary for activity. A series of products substituted at the 5-position in addition to the 2-n-propoxy was prepared

  描述了一系列6-苯基吡唑并[3,4-d]嘧啶酮，它们是cGMP特异性（V型）磷酸二酯酶的特异性抑制剂。评价了酶和细胞活性以及体内口服降压活性。苯环的2位上的正丙氧基是活性所必需的。制备并评估了除2-正丙氧基外在5-位取代的一系列产物。这个职位可以容纳许多无关的团体。氨基衍生物非常有效，但缺乏代谢稳定性。碳连接的小杂环取代提供了高水平的活性和稳定性。细胞活性经常与体内活性相关。在这些化合物中，1,3-二甲基-6（2-丙氧基-5-甲磺酰胺基苯基）-1,5-二氢邻苯二酚[3，
• Pyrazolopyrimidine Derivatives
  申请人：LABORATOIRES GLAXO SA

  公开号：EP0636626A1

  公开（公告）日：1995-02-01

  Pyrazolo[3,4-d]pyrimidin-4-one derivatives of formula (I) and salts and solvates thereof are described, in which: R¹ represents arylmethyl or C₁₋₆alkyl optionally substituted by one or more fluorine atoms; R² represents methyl; R³ represents C₂₋₄alkyl; R⁴ represents nitro, cyano, C₁₋₆alkoxy, C(=X)NR⁶R⁷, NR⁸R⁹, (CH₂)mNR¹⁰C(=Y)R¹¹ or a 5-membered heterocyclic ring selected from thienyl, thiazolyl and 1,2,4-triazolyl each ring optionally substituted by a C₁₋ ₄alkyl or aryl group; or when R¹ is arylmethyl or C₁₋₆alkyl substituted by one or more fluorine atoms then R⁴ may also represent hydrogen; R⁵ represents hydrogen or C₁₋₆alkyl; R⁶ represents hydrogen or C₁₋₆alkyl; R⁷ represents hydrogen, amino, hydroxyl, C₁₋₆alkyl, aryl or arylC₁₋₄alkyl; R⁸ represents hydrogen or C₁₋₆alkyl; R⁹ represents hydrogen, C₁₋₆alkyl, SO₂R¹², CO₂R¹², C(=NCN)SR¹² or C(=NCN)NR¹³R¹⁴; R¹⁰ represents hydrogen or C₁₋₆alkyl; R¹¹ represents C₁₋₆alkyl optionally substituted by one or more halogen atoms, or R¹¹ represents aryl, arylC₁₋₄alkyl, thienyl, NR¹⁵R¹⁶, CH₂NR¹⁷R¹⁸ or R¹⁰ and R¹¹ together represent -A(CH₂)n-; R¹² represents C₁₋₆alkyl, aryl or arylC₁₋₄alkyl; R¹³ represents hydrogen or C₁₋₆alkyl; R¹⁴ represents hydrogen, C₁₋₆alkyl, aryl, arylC₁₋₄alkyl or R¹³ and R¹⁴ together with the nitrogen atom to which they are attached form a morpholine, piperazine or N-C₁₋₄alkylpiperazine ring; R¹⁵ represents hydrogen or C₁₋₆alkyl or R¹⁰ and R¹⁵ together represent -A(CH₂)n-; R¹⁶ represents hydrogen, C₁₋₆alkyl, aryl, arylC₁₋₄alkyl, CO₂R¹², CH₂CO₂R¹² or R¹⁵ and R¹⁶ together with the nitrogen atom to which they are attached form a morpholine, piperazine or N-C₁₋₄alkylpiperazine ring; R¹⁷ represents hydrogen or C₁₋₆alkyl; R¹⁸ represents hydrogen, C₁₋₆alkyl, aryl, arylC₁₋₄alkyl, COR¹² or R¹⁷ and R¹⁸ together with the nitrogen atom to which they are attached form a morpholine, piperazine or N-C₁₋₄alkylpiperazine ring; A represents CH₂ or C=O; m represents zero or 1; n represents 1,2 or 3; X represents S or NH, or when R⁷ represents amino then X may also represent O; Y represents O or S; for use in therapy. These compounds are potent and selective inhibitors of cyclic guanosine 3',5'-monophosphate specific phosphodiesterase (cGMP specific PDE) and are useful in a variety of therapeutic areas, including the treatment of cardiovascular disorders.

  描述了式(I)的吡唑并[3,4-d]嘧啶-4-酮衍生物及其盐和溶剂化合物，其中：R¹代表芳基甲基或C₁₋₆烷基，可选择性地取代一个或多个氟原子；R²代表甲基；R³代表C₂₋₄烷基；R⁴代表硝基、氰基、C₁₋₆烷氧基、C(=X)NR⁶R⁷、NR⁸R⁹、(CH₂)mNR¹⁰C(=Y)R¹¹或选择自噻吩基、噻唑基和1,2,4-三唑基的5-成员杂环环，每个环可选择性地取代为C₁₋₄烷基或芳基；或当R¹为芳基甲基或C₁₋₆烷基取代一个或多个氟原子时，R⁴也可以代表氢；R⁵代表氢或C₁₋₆烷基；R⁶代表氢或C₁₋₆烷基；R⁷代表氢、氨基、羟基、C₁₋₆烷基、芳基或芳基C₁₋₄烷基；R⁸代表氢或C₁₋₆烷基；R⁹代表氢、C₁₋₆烷基、SO₂R¹²、CO₂R¹²、C(=NCN)SR¹²或C(=NCN)NR¹³R¹⁴；R¹⁰代表氢或C₁₋₆烷基；R¹¹代表C₁₋₆烷基，可选择性地取代一个或多个卤原子，或R¹¹代表芳基、芳基C₁₋₄烷基、噻吩基、NR¹⁵R¹⁶、CH₂NR¹⁷R¹⁸或R¹⁰和R¹¹一起代表-A(CH₂)n-；R¹²代表C₁₋₆烷基、芳基或芳基C₁₋₄烷基；R¹³代表氢或C₁₋₆烷基；R¹⁴代表氢、C₁₋₆烷基、芳基、芳基C₁₋₄烷基或R¹³和R¹⁴与它们连接的氮原子一起形成吗啡啉、哌嗪或N-C₁₋₄烷基哌嗪环；R¹⁵代表氢或C₁₋₆烷基或R¹⁰和R¹⁵一起代表-A(CH₂)n-；R¹⁶代表氢、C₁₋₆烷基、芳基、芳基C₁₋₄烷基、CO₂R¹²、CH₂CO₂R¹²或R¹⁵和R¹⁶与它们连接的氮原子一起形成吗啡啉、哌嗪或N-C₁₋₄烷基哌嗪环；R¹⁷代表氢或C₁₋₆烷基；R¹⁸代表氢、C₁₋₆烷基、芳基、芳基C₁₋₄烷基、COR¹²或R¹⁷和R¹⁸与它们连接的氮原子一起形成吗啡啉、哌嗪或N-C₁₋₄烷基哌嗪环；A代表CH₂或C=O；m代表零或1；n代表1,2或3；X代表S或NH，或当R⁷代表氨基时，X也可以代表O；Y代表O或S；用于治疗。这些化合物是环鸟苷3',5'-单磷酸特异性磷酸二酯酶（cGMP特异性PDE）的有效和选择性抑制剂，并在多种治疗领域中有用，包括治疗心血管疾病。