2-phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carbonyl chloride | 51950-71-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carbonyl chloride
• 英文别名: 3-Methyl-flavon-carbonsaeure-(8)-chlorid；3-Methyl-flavon-8-carbonsaeurechlorid；3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carbonyl chloride；3-methyl-8-chlorocarbonylflavone；3-methyl-4-oxo-2-phenyl-4H-chromene-8-carbonyl chloride；3-methylflavone-8-carboxylic acid chloride；3-methyl-4-oxo-2-phenylchromene-8-carbonyl chloride
• CAS: 51950-71-1
• 化学式: C₁₇H₁₁ClO₃
• 分子量: 298.726
• InChiKey: GPFVBEXADULZAD-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C(Solv: ligroine (8032-32-4))
• 沸点：
  463.0±45.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carbonyl chloride 生成 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxamide
  参考文献：
  名称：

  ITO, YASUO;KATO, XIDEHO;KOSINAKA;EHJITI;KOGAVA, NOBUO;MITANI, KADZUYA

  摘要：

  DOI：

文献信息

• N-substituted flavone-8-carboxamides
  申请人：Hokuriku Pharmaceutical Co., Ltd.

  公开号：US04525356A1

  公开（公告）日：1985-06-25

  Derivatives of N-substituted flavone-8-carboxamides represented by general formula (I) ##STR1## wherein R.sub.1 represents a hydrogen atom, a methyl group or an ethyl group, R.sub.2 represents a hydrogen atom, a lower alkyl group, a lower alkoxyl group, a halogen atom or a nitro group, R.sub.3 represents a hydrogen atom or a lower alkyl group, k represents 0, 1, 2, or 3, m represents 0 or 1; X and Y, which must be different, represent a hydrogen atom or methyl group. A represents an amino group having the formula ##STR2## wherein, R.sub.4 and R.sub.5, which may be the same or different, represent a lower alkyl group or a cyclic amino group together with the nitrogen atom and with or without an oxygen atom, R.sub.6 represents a lower alkyl group and n represents 2 or 3, are disclosed, as well as pharmaceutical compositions thereof and method of treating therewith. The N-substituted flavone-8-carboxamides derivatives are useful as agents for treatment of dysurea.

  式(I)所表示的N-取代黄酮-8-甲酰胺衍生物，其中R1表示氢原子、甲基或乙基，R2表示氢原子、低级烷基、低级烷氧基、卤素原子或硝基，R3表示氢原子或低级烷基，k表示0、1、2或3，m表示0或1；X和Y必须不同，表示氢原子或甲基。A表示具有式(II)的氨基，其中，R4和R5可以相同或不同，表示低级烷基或与氮原子一起形成的有或无氧原子的环状氨基，R6表示低级烷基，n表示2或3。这些衍生物以及含有它们的药物组合物和使用它们的治疗方法被公开。N-取代黄酮-8-甲酰胺衍生物作为治疗尿潴留的药物是有用的。
• Bicyclic heterocyclic derivatives having .alpha..sub.1 -adrenergic and
  申请人：Recordati S.A., Chemical and Pharmaceutical Company

  公开号：US05474994A1

  公开（公告）日：1995-12-12

  This invention provides bicyclic heterocyclic derivatives and their pharmaceutically acceptable salts useful for the treatment of hypertension, urethral and lower urinary tract contractions, and other disorders. The compounds are also useful for binding .alpha..sub.1 -adrenergic and 5HT.sub.1A serotonergic receptors, in vitro or in vivo.

  本发明提供了双环杂环衍生物及其药学上可接受的盐，用于治疗高血压、尿道和下泌尿道收缩以及其他疾病。这些化合物还可用于体内或体外结合α1-肾上腺素能和5HT1A-5-羟色胺能受体。
• Bicyclic heterocyclic derivatives having .alpha..sub.1 adrenergic and
  申请人：Recordati S.A., Chemical and Pharmaceutical Company

  公开号：US05605896A1

  公开（公告）日：1997-02-25

  This invention provides bicyclic heterocyclic derivatives and their pharmaceutically acceptable salts useful for the treatment of hypertension, urethral and lower urinary tract contractions, and other disorders. The compounds are also useful for binding .alpha..sub.1 -adrenergic and 5HT.sub.1A serotonergic receptors, in vitro or in vivo.

  这项发明提供了用于治疗高血压、尿道和下尿道收缩以及其他疾病的双环杂环衍生物及其药用盐。这些化合物还可用于体外或体内结合α1-肾上腺素能和5HT1A-5-羟色胺能受体。
• Certain piperidino-lower-alkylene esters of
  申请人：Recordati S.A., Chemical & Pharmaceutical Company

  公开号：US04550115A1

  公开（公告）日：1985-10-29

  Novel 3-methylflavone-8-carboxylates having the structural formula (I): ##STR1## wherein Z is N-methylpiperidinyl, tropinyl or quinuclidinyl, or a group having the structural formula (II): ##STR2## in which n is 0 or 1, R is hydrogen or alkyl having from 1 to 4 carbon atoms, or phenyl, R.sub.1 is hydrogen or alkyl having from 1 to 4 carbon atoms, R.sub.2 is hydrogen or hydroxy, and further wherein R, R.sub.1 and R.sub.2 may together form, with the carbon atoms from which they depend, a cycloalkyl ring having from 4 to 6 carbon atoms, and R.sub.3 is hydrogen or alkyl having from 1 to 4 carbon atoms, with the proviso that R, R.sub.1, R.sub.2 and R.sub.3 cannot at the same time all be hydrogen, and the pharmaceutically acceptable salts thereof, are effective smooth muscle relaxants, calcium blockers, anaesthetics and anti-inflammatories.

  具有结构式（I）的新型3-甲基黄酮-8-羧酸酯：##STR1## 其中Z是N-甲基哌啶基，曲椅基或喹啉基，或具有结构式（II）的基团：##STR2## 其中n为0或1，R是氢或具有1至4个碳原子的烷基或苯基，R.sub.1是氢或具有1至4个碳原子的烷基，R.sub.2是氢或羟基，进一步地，R，R.sub.1和R.sub.2可以与它们依赖的碳原子一起形成具有4至6个碳原子的环烷基环，R.sub.3是氢或具有1至4个碳原子的烷基，但R，R.sub.1，R.sub.2和R.sub.3不能同时都是氢，并且其药学上可接受的盐是有效的平滑肌松弛剂，钙拮抗剂，麻醉剂和抗炎剂。
• Benzopyran and benzothiopyran derivatives
  申请人：Recordati S.A., Chemical and Pharmaceutical Company

  公开号：US05403842A1

  公开（公告）日：1995-04-04

  The invention relates to benzopyranone and benzothiopyranone compounds, compositions and methods of use which have adrenergic and serotonergic activity.

  本发明涉及苯并吡喃酮和苯并噻吩酮化合物，组合物和使用方法，具有肾上腺素能和5-羟色胺能活性。