6,7-dihydro-1-benzofuran-4(5H)-one oxime | 61190-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6,7-dihydro-1-benzofuran-4(5H)-one oxime
• 英文别名: 6,7-dihydro-5H-benzofuran-4-one oxime；(E)-6,7-Dihydrobenzofuran-4(5H)-one oxime；N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine
• CAS: 61190-46-3
• 化学式: C₈H₉NO₂
• 分子量: 151.165
• InChiKey: XLJSELFTFQSTNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  6,7-dihydro-1-benzofuran-4(5H)-one oxime 在 甲醇 、 sodium tetrahydroborate 、 nickel(II) chloride hexahydrate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-trimethylsilylethyl (3S)-3-[6-chloro-2-hydroxy-3-(4,5,6,7-tetrahydro-1-benzofuran-7-ylcarbamoylamino)phenyl]sulfonylpiperidine-1-carboxylate
  参考文献：
  名称：

  EP3738956

  摘要：

  公开号：
• 作为产物：
  描述：

  6,7-二氢-4(5H)-苯并呋喃酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 生成 6,7-dihydro-1-benzofuran-4(5H)-one oxime
  参考文献：
  名称：

  EP3738956

  摘要：

  公开号：

文献信息

• AMINO-QUINOLINES AS KINASE INHIBITORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP2566477B1

  公开（公告）日：2015-09-02
• Synthesis and Structure−Activity Relationships of 5,6,7,8-Tetrahydro-4<i>H</i>-thieno[3,2-<i>b</i>]azepine Derivatives:  Novel Arginine Vasopressin Antagonists
  作者：Hidetsura Cho、Kengo Murakami、Hiroyuki Nakanishi、Akitaka Fujisawa、Hirotaka Isoshima、Misako Niwa、Kazuhide Hayakawa、Yasunori Hase、Itsuo Uchida、Hidenori Watanabe、Korekiyo Wakitani、Kazuo Aisaka

  DOI：10.1021/jm030287l

  日期：2004.1.1

  A variety of novel heterocyclic compounds having thienoazepine, pyrroloazepine, furoazepine, and thienodiazepine skeletons were synthesized, most of which exhibited potent antagonism of [H-3]-AVP specific binding in assays using rat liver (V1), rat kidney (V2), human platelet plasma membranes, and recombinant human CHO cells (V2), as well as antagonizing AVP-induced hypertension in rats (V1, intravenous) and showing a diuretic effect in rats (V2, oral). By detailed studies of the structure-activity relationships of these compounds, the thienoazepine derivative 1 was found to be a very potent combined V1 and V2 antagonist. After further pharmacological and toxicological evaluation as well as physical properties, the hydrochloride 2 (JTV-605) of compound 1 was selected for clinical studies as a potent AVP antagonist with a long duration of action.
• Regioselective Synthesis of Several Heterocyclic Fused Azepines Using Diisobutylaluminum Hydride
  作者：Hidetsura Cho、Kengo Murakami、Hiroyuki Nakanishi、Hirotaka Isoshima、Kazuhide Hayakawa、Itsuo Uchida

  DOI：10.3987/com-98-8104

  日期：——

  5,6,7,8-Tetrahydrothieno[3,2-b]azepine,5,6,7,8-tetrahydro-1H-furo[3,- 2b]azepine, and 1,4,5,6,7,8-hexahydropyrrolo [3,2-b]azepine were synthesized by the ring expansion reaction of heterocyclic fused cyclohexanone oximes with diisobutylaluminum hydride (DIBAH). The mechanism of the reaction was different from that of Beckmann rearrangement.
• Royer,R. et al., European Journal of Medicinal Chemistry, 1976, vol. 11, p. 221 - 224
  作者：Royer,R. et al.

  DOI：——

  日期：——
• EP3738956
  申请人：——

  公开号：——

  公开（公告）日：——