methyl 2-(2-acetyl-4-chlorophenoxy)acetate | 77956-36-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-(2-acetyl-4-chlorophenoxy)acetate
• 英文别名: (2-acetyl-4-chloro-phenoxy)-acetic acid methyl ester；(2-Acetyl-4-chlor-phenoxy)-essigsaeure-methylester；(2'-acetyl-4'-chloro) phenoxyacetic acid-methyl ether
• CAS: 77956-36-6
• 化学式: C₁₁H₁₁ClO₄
• mdl: MFCD16661422
• 分子量: 242.659
• InChiKey: FTLIHCOGDZLXNV-UHFFFAOYSA-N

物化性质

• 熔点：
  98 °C
• 沸点：
  348.4±32.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-acetyl-4-chlorophenoxy)acetate 在 乙醇 、 sodium ethanolate 作用下， 反应 12.0h， 生成 5-氯-3-甲基-1-苯并呋喃-2-羧酸
  参考文献：
  名称：

  [EN] SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS
  [FR] INHIBITEURS DE LA MCL-1 À BASE DE BENZOFURANE, DE BENZOTHIOPHÈNE ET D'INDOLE SUBSTITUÉS

  摘要：

  公开号：

  WO2014047427A3
• 作为产物：
  描述：

  2-羟基-5-氯苯乙酮 、 溴乙酸甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 12.42h， 生成 methyl 2-(2-acetyl-4-chlorophenoxy)acetate
  参考文献：
  名称：

  [EN] SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS
  [FR] INHIBITEURS DE LA MCL-1 À BASE DE BENZOFURANE, DE BENZOTHIOPHÈNE ET D'INDOLE SUBSTITUÉS

  摘要：

  公开号：

  WO2014047427A3

文献信息

• 1-Benzoxepin-5 (2H)-one derivatives and pharmaceutical compositions
  申请人：Kali-Chemie Pharma GmbH

  公开号：US04279905A1

  公开（公告）日：1981-07-21

  Novel, 3-amino-1-benzoxepin-5 (2H)-one derivatives and methods for their production are disclosed. These derivatives correspond to the Formula I: ##STR1## wherein: R.sub.1 and R.sub.2 independently of one another are hydrogen, C.sub.1 -C.sub.5 alkyl, C.sub.1 -C.sub.5 alkyl substituted with a terminal phenyl, or a phenyl containing one or two halogens, methyl or methoxy groups, a 3,4-methylenedioxy or a 3,4-ethylenedioxy group, C.sub.2 -C.sub.5 alkyl substituted with terminal hydroxy or methoxy or, C.sub.3 -C.sub.4 alkenyl; or one of R.sub.1 and R.sub.2 are hydrogen or a C.sub.1 -C.sub.5 alkyl and the other is a C.sub.2 -C.sub.5 alkyl substituted with a terminal NR.sub.5 R.sub.6 ; R.sub.5 and R.sub.6 independently of one another are hydrogen or C.sub.1 -C.sub.5 alkyl; or R.sub.5 and R.sub.6 are together a 5 to 7 member ring, or R.sub.5 and R.sub.6 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or nitrogen; R.sub.1 and R.sub.2 are together a 5 to 7 member ring, or R.sub.1 and R.sub.2 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or NR.sub.7 ; R.sub.7 is hydrogen, methyl, benzyl or phenyl; R.sub.3 and R.sub.4 independently of one another are hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy or C.sub.1 -C.sub.4 alkylthio; or one of R.sub.3 and R.sub.4 is trifluoromethyl or nitro and the other is hydrogen; and the acid addition salts thereof. These compounds have a favorable effect on the treatment of spasms of the stomach-intestinal tract and, therefore, constitute the active ingredient of pharmaceutical compositions and methods for the treatment of disorders of the stomach and intestinal tract. Processes for the preparation of the derivatives and their acid addition salts and intermediate products for their preparation are also descrived.

  本文披露了小说，3-氨基-1-苯并氧杂环戊-5（2H）-酮衍生物及其生产方法。这些衍生物对应于公式I：其中：R.sub.1和R.sub.2彼此独立地为氢、C.sub.1-C.sub.5烷基、C.sub.1-C.sub.5烷基的末端取代苯基，或含有一个或两个卤素、甲基或甲氧基的苯基，3,4-亚甲二氧基或3,4-乙二氧基基团，或末端羟基或甲氧基取代的C.sub.2-C.sub.5烷基或C.sub.3-C.sub.4烯烃基；或R.sub.1和R.sub.2中的一个为氢或C.sub.1-C.sub.5烷基，另一个为末端NR.sub.5R.sub.6取代的C.sub.2-C.sub.5烷基；R.sub.5和R.sub.6彼此独立地为氢或C.sub.1-C.sub.5烷基；或R.sub.5和R.sub.6一起形成5到7环，或R.sub.5和R.sub.6一起形成具有异氧、硫或氮的5到7环；R.sub.1和R.sub.2一起形成5到7环，或R.sub.1和R.sub.2一起形成具有异氧、硫或NR.sub.7的5到7环；R.sub.7为氢、甲基、苄基或苯基；R.sub.3和R.sub.4彼此独立地为氢、卤素、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基或C.sub.1-C.sub.4烷硫基；或R.sub.3和R.sub.4中的一个为三氟甲基或硝基，另一个为氢；及其酸盐。这些化合物对治疗胃肠道痉挛有良好效果，因此构成了治疗胃肠道疾病的药物组成物的活性成分和治疗方法。还描述了用于制备这些衍生物及其酸盐和用于制备它们的中间产物的过程。
• SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS
  申请人：VANDERBILT UNIVERSITY

  公开号：US20150336925A1

  公开（公告）日：2015-11-26

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了一种抑制抗凋亡Bcl-2家族成员髓系细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了制药组合物以及使用化合物治疗因Mcl-1蛋白过度表达或失调而表现出的疾病和症状（例如癌症）的方法。
• Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors
  申请人：VANDERBILT UNIVERSITY

  公开号：US10093640B2

  公开（公告）日：2018-10-09

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了抑制抗凋亡 Bcl-2 家族成员骨髓细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了药物组合物以及使用化合物治疗以 Mcl-1 蛋白过度表达或失调为特征的疾病和病症（如癌症）的方法。
• Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors
  申请人：Vanderbilt University

  公开号：US10844032B2

  公开（公告）日：2020-11-24

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了抑制抗凋亡 Bcl-2 家族成员骨髓细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了药物组合物以及使用化合物治疗以 Mcl-1 蛋白过度表达或失调为特征的疾病和病症（如癌症）的方法。
• Suzuki, Tsuneo; Tanemura, Kiyoshi; Horaguchi, Takaaki, Journal of Heterocyclic Chemistry, 1992, vol. 29, # 2, p. 423 - 429
  作者：Suzuki, Tsuneo、Tanemura, Kiyoshi、Horaguchi, Takaaki、Shimimizu, Takahachi、Sakakibara, Tohru

  DOI：——

  日期：——