2,4,6-Cycloheptatrien-1-one, 7-iodo-2-methoxy-4-(1-methylethyl)- | 90035-63-5

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 2,4,6-Cycloheptatrien-1-one, 7-iodo-2-methoxy-4-(1-methylethyl)-
• 英文别名: 7-iodo-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
• CAS: 90035-63-5
• 化学式: C₁₁H₁₃IO₂
• 分子量: 304.12
• InChiKey: ZEYKHECXAOIWJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6-Cycloheptatrien-1-one, 7-iodo-2-methoxy-4-(1-methylethyl)- 生成 4-isopropyltropolone methyl ether
  参考文献：
  名称：

  UYEHARA T.; MIYAKOSHI S.; KITAHARA Y., BULL. CHEM. SOC. JAP., 1979, 52, NO 7, 2023-2027

  摘要：

  DOI：

文献信息

• Azaazulene derivative, process for preparing the same, and antiallergic agent and antiinflammatory agent containing the same
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP0376223A2

  公开（公告）日：1990-07-04

  An azaazulene derivative having the general formula (I): wherein R1 is hydrogen atom or isopropyl group; the bond between C at the 2-position and N at the 1-position is single bond or double bond; when the bond is single bond, R2 is 5-tetrazolyl group, R3 is taken together with carbon atom to form carbonyl group at the 2-position, and R4 is hydrogen atom, an alkyl group having 1 to 18 carbon atoms, a lower alkenyl group, a lower alkyl group having oxygen atom or sulfur atom in carbon chain, a lower alkyl group having a halogen atom or cyano group, a lower alkyl group having heteroaromatic ring, a diphenyl lower alkyl group, or a lower alkyl group having hydrocarbon-aromatic ring with the general formula: in which W is,single bond or carbonyl group, oxygen atom, sulfur atom or -CH = CH-, n is an integer of 1 to 6, and R' , R2 and R3 are the same or different and each is hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxyl group, trifluoromethyl group, hydroxyl group, a lower alkoxycarbonyl group, carboxyl group, acetyl group or cyano group; when the bond is double bond, N at the 1-position has no substituent R4, R2 is cyano group, and R3 is amino group or a salt thereof, azido group, a diphenyl lower alkyl amino group, a substituted phenyl amino group, a substituted piperazinyl group, a substituted homopiperazinyl group, an amino acid residue bonded by N terminal group in which C terminal group is carboxyl group or a lower alkyl ester thereof, or a lower alkyl amino group which may have an alkyl amino group that may be cyclic one, or a salt thereof, which is useful as an active ingredient of an antiallergic agent and an antiinflammatory agent and has also an inhibitory activity against histamine release, 5-lipoxygenase inhibiting activity, relaxing activity of smooth musculus trachealis and inhibitory activity against carrageenin edema, and further, is useful as medicine for prevention and treatment of bronchial asthma, allergic coryza, allergic conjunctivitis, urticaria, atopic dermatitis, other inflammatory diseases or the like.

  一种具有通式(I)的氮杂环戊烯衍生物： 其中 R1 为氢原子或异丙基；位于 2 位的 C 与位于 1 位的 N 之间的键为单键或双键 在 2 位的 C 与 1 位的 N 之间的键是单键或双键；当键是单键时，R2 是 5-四唑基，R3 与 1 位的 N 之间的键是单键或双键。 R4为氢原子、具有 1 至 18 个碳原子的烷基、低级烯基、在碳链中具有氧原子或硫原子的低级烷基、具有卤素原子或氰基的低级烷基、具有杂芳香环的低级烷基、二苯基低级烷基或具有烃-芳香环的低级烷基，通式如下： 其中，W 是单键或羰基、氧原子、硫原子或 -CH = CH-，n 是 1 至 6 的整数，R'、R2 和 R3 相同或不同，并且各自是氢原子、卤素原子、低级烷基、低级烷氧基、三氟甲基、羟基、低级烷氧基羰基、羧基、乙酰基或氰基；当键 为双键时，位于 1 位的 N 没有取代基 R4，R2 为氰基，R3 为氨基或其盐、叠氮基、二苯基低级烷基氨基、取代的苯基氨基、取代的哌嗪基、取代的均哌嗪基、由 N 末端基团（其中 C 末端基团为羧基或其低级烷基酯）键合的氨基酸残基、或低级烷基氨基（其烷基氨基可以是环状的）或其盐、它可作为抗过敏剂和抗炎剂的有效成分，还具有抑制组胺释放的活性、抑制 5-脂氧合酶的活性、松弛气管平滑肌的活性和抑制卡拉胶水肿的活性，还可作为预防和治疗支气管哮喘、过敏性咽喉炎、过敏性结膜炎、荨麻疹、特应性皮炎、其他炎症或类似疾病的药物。
• US5013736A
  申请人：——

  公开号：US5013736A

  公开（公告）日：1991-05-07
• USRE34918E
  申请人：——

  公开号：USRE34918E

  公开（公告）日：1995-04-25
• UYEHARA T.; MIYAKOSHI S.; KITAHARA Y., BULL. CHEM. SOC. JAP., 1979, 52, NO 7, 2023-2027
  作者：UYEHARA T.、 MIYAKOSHI S.、 KITAHARA Y.

  DOI：——

  日期：——