5-氟-2,3-二氢-1-苯并呋喃-2-羧酸 | 89197-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 5-氟-2,3-二氢-1-苯并呋喃-2-羧酸
• 英文名称: 5-fluoro-2,3-dihydro-benzofuran-2-carboxylic acid
• 英文别名: 5-Fluoro-2,3-dihydrobenzofuran-2-carboxylic acid；5-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid
• CAS: 89197-63-7
• 化学式: C₉H₇FO₃
• mdl: MFCD11186818
• 分子量: 182.151
• InChiKey: QLNKTQSTCJIKOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-氟-2,3-二氢-1-苯并呋喃-2-羧酸 在 氯化亚砜 、 氨 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 反应 4.5h， 生成 5-fluoro-2,3-dihydrobenzofuran-2-carboxamide
  参考文献：
  名称：

  .alpha.-Adrenoceptor reagents. 2. Effects of modification of the 1,4-benzodioxan ring system on .alpha.-adrenoreceptor activity

  摘要：

  Modification of the 1,4-benzodioxan ring present in RX 781094 has not previously been considered. This paper describes a number of analogues of this ring system, including compounds in which one of the oxygen atoms has been replaced by a methylene group and also those in which the ring size has been changed to give, for example, furan and thiophene derivatives. The dihydrobenzofuranylimidazoline compound 7 is the only analogue possessing presynaptic antagonist potency potency and selectivity comparable to that of 1. In view of this result, a number of derivatives was prepared to determine the structure-activity relationships within this series. Many derivatives, as well as the parent compound 7, were found to possess presynaptic alpha 2-adrenoreceptor antagonist and postsynaptic alpha 1-adrenoreceptor partial agonist properties. Two of the selective presynaptic antagonists, 13 and 14 possess greater potency and selectivity than that possessed by 1. The 5-chloro derivative 25 is twice as potent as after oral administration but only about half as potent when given intravenously.

  DOI：

  10.1021/jm00371a003
• 作为产物：
  描述：

  5-氟-1-苯并呋喃-2-羧酸 在 sodium hydroxide 、 sodium amalgam 、 硫酸 、 sodium 、 汞 作用下， 以 水 为溶剂， 生成 5-氟-2,3-二氢-1-苯并呋喃-2-羧酸
  参考文献：
  名称：

  Imidazoline derivatives as presynaptic .alpha..sub.2 -adrenoreceptor

  摘要：

  咪唑啉衍生物的化学式为##STR1##其中R.sup.1为氢或烷基C.sub.1-6；R.sup.2为氢、甲基、氯、溴或氟；R.sup.3为氢、甲基、羟基、甲氧基、氟、氯或溴；以及它们的无毒盐。它们的制备方法和药物组合物。这些化合物具有前突触α2-肾上腺素受体拮抗活性。

  公开号：

  US04411908A1

文献信息

• ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF
  申请人：Meng Charles Q.

  公开号：US20140142114A1

  公开（公告）日：2014-05-22

  The present invention relates to novel anthelmintic compounds of formula (I) below: wherein Y and Z are independently a bicyclic carbocyclic or a bicyclic heterocyclic group, or one of Y or Z is a bicyclic carbocyclic or a bicyclic heterocyclic group and the other of Y or Z is alkyl, alkenyl, alkynyl, cycloalkyl, phenyl, heterocyclyl or heteroaryl, and variables X 1 , X 2 , X 3 , X 4 , X 5 , X 6 , X 7 and X 8 are as defined herein. The invention also provides for veterinary compositions comprising the anthelmintic compounds of the invention, and their uses for the treatment and prevention of parasitic infections in animals.

  本发明涉及以下式（I）的新型驱虫化合物： 其中 Y和Z分别是双环碳环或双环杂环基团，或者Y或Z中的一个是双环碳环或双环杂环基团，另一个是烷基，烯基，炔基，环烷基，苯基，杂环基或杂芳基，以及变量X 1 ，X 2 ，X 3 ，X 4 ，X 5 ，X 6 ，X 7 和X 8 如本文所定义。本发明还提供了包含本发明的驱虫化合物的兽药组合物，以及它们用于治疗和预防动物寄生虫感染的用途。
• Imidazoline derivatives as presynaptic .alpha..sub.2 -adrenoreceptor
  申请人：Reckitt & Colman Products Limited

  公开号：US04411908A1

  公开（公告）日：1983-10-25

  Imidazoline derivatives of the formula ##STR1## wherein R.sup.1 is hydrogen or alkyl C.sub.1-6 ; R.sup.2 is hydrogen, methyl, chloro, bromo or fluoro; R.sup.3 is hydrogen, methyl, hydroxy, methoxy, fluoro, chloro or bromo; and their non-toxic salts. Processes for their preparation and pharmaceutical compositions thereof. The compounds exhibit presynaptic .alpha..sub.2 -adrenoreceptor antagonist activity.

  咪唑啉衍生物的化学式为##STR1##其中R.sup.1为氢或烷基C.sub.1-6；R.sup.2为氢、甲基、氯、溴或氟；R.sup.3为氢、甲基、羟基、甲氧基、氟、氯或溴；以及它们的无毒盐。它们的制备方法和药物组合物。这些化合物具有前突触α2-肾上腺素受体拮抗活性。
• Phenoyalkylpiperazine derivatives
  申请人：Adir Et Compagnie

  公开号：US05668138A1

  公开（公告）日：1997-09-16

  A compound selected from those of formula (I): ##STR1## where RA, RB, RC, RD, A, n, X, Y and Ar are defined in the description, and a medicinal product comprising the same for treating a mammal afflicted with a disease associated with sigma receptors.

  从公式（I）中选择的化合物：##STR1## 其中RA、RB、RC、RD、A、n、X、Y和Ar在说明中定义，以及包含该化合物的药物产品，用于治疗患有与sigma受体相关的疾病的哺乳动物。
• Benzopyran derivatives
  申请人：Adir et Compagnie

  公开号：US05691340A1

  公开（公告）日：1997-11-25

  A compound selected from those of formula (I): ##STR1## where RA, RB, RC, RD, A, n, X, Y and Ar are defined in the description, and a medicinal product comprising the same for treating a mammal afflicted with a disease associated with sigma receptors.

  一种从化学式（I）所示的化合物中选择的化合物：##STR1## 其中RA、RB、RC、RD、A、n、X、Y和Ar在描述中有定义，以及包含它的药物制剂，用于治疗患有与西格玛受体相关的疾病的哺乳动物。
• Anthelmintic compounds and compositions and method of using thereof
  申请人：MERIAL INC.

  公开号：US09249102B2

  公开（公告）日：2016-02-02

  The present invention relates to novel anthelmintic compounds of formula (I) below: wherein Y and Z are independently a bicyclic carbocyclic or a bicyclic heterocyclic group, or one of Y or Z is a bicyclic carbocyclic or a bicyclic heterocyclic group and the other of Y or Z is alkyl, alkenyl, alkynyl, cycloalkyl, phenyl, heterocyclyl or heteroaryl, and variables X1, X2, X3, X4, X5, X6, X7 and X8 are as defined herein. The invention also provides for veterinary compositions comprising the anthelmintic compounds of the invention, and their uses for the treatment and prevention of parasitic infections in animals.

  本发明涉及以下式子(I)的新型驱虫化合物： 其中Y和Z分别是双环碳环或双环杂环基团，或其中一个为双环碳环或双环杂环基团，另一个为烷基，烯基，炔基，环烷基，苯基，杂环基或杂环芳基；变量X1，X2，X3，X4，X5，X6，X7和X8如定义所述。本发明还提供包含本发明的驱虫化合物的兽医组合物，并且它们用于治疗和预防动物寄生虫感染。