2,2-dimethylspiro[2,4]hepta-4,6-diene-1-carboxylic acid | 53018-36-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,2-dimethylspiro[2,4]hepta-4,6-diene-1-carboxylic acid
• 英文别名: 2,2-Dimethylspiro[2.4]hepta-4,6-diene-1-carboxylic acid
• CAS: 53018-36-3
• 化学式: C₁₀H₁₂O₂
• mdl: MFCD09034959
• 分子量: 164.204
• InChiKey: QGBPTYVAIGFIPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethylspiro[2,4]hepta-4,6-diene-1-carboxylic acid 在 氯化亚砜 作用下， 以 正己烷 为溶剂， 生成 2,2-Dimethylspiro[2.4]hepta-4,6-diene-1-carboxylic Acid Chloride
  参考文献：
  名称：

  Insecticidal esters of spiro carboxylic acids

  摘要：

  本文描述了某些螺环羧酸及其丙酮酸酯。这些酯具有独特的杀虫特性，并可在家庭、花园和农业应用中使用。

  公开号：

  US04045469A1

文献信息

• Systemic control of ectoparasites with pyrethroids
  申请人：American Cyanamid Company

  公开号：US03962458A1

  公开（公告）日：1976-06-08

  This invention is the use of m-phenoxybenzyl esters of spirocarboxylic acids as systemic insecticidal and acaricidal agents for treatment of homothermic animals.

  这项发明是使用螺环羧酸m-苯氧基苄酯作为治疗恒温动物的全身性杀虫和杀螨剂。
• Insecticidal and acaricidal, pyrethroid compounds
  申请人：American Cyanamid Company

  公开号：US03966959A1

  公开（公告）日：1976-06-29

  This invention relates to novel m-phenoxybenzyl esters of spirocarboxylic acids which are useful as topical insecticidal and acaricidal agents for treatment of homothermic animals, and as insecticidal agents effective for the protection of agricultural crops, harvested cereals, and the like.

  本发明涉及新型的螺环羧酸m-苯氧基苄酯，其可用作治疗同温动物的局部杀虫和杀螨剂，以及对保护农作物、收获的谷物等有效的杀虫剂。
• Insecticidal pyrethroid compositions
  申请人：American Cyanamid Company

  公开号：US04087523A1

  公开（公告）日：1978-05-02

  This invention relates to novel insecticidal compositions comprising a m-phenoxybenzyl ester of a spirocarboxylic acid and an insecticidal agent of chlorinated camphene; 0,0-dimethyl-0-p-nitrophenyl phosphorothioate; N'-(4-chloro-o-tolyl)-N,N-dimethylformamidine; 2-(diethoxy-phosphinylimino)-4-methyl-1,3-dithiolane; 0,0-dimethyl-S-[4-oxo-1,2,3-benzotriazin-3-(4H)-ylmethyl]phosphorodithioat e; 1-naphthyl N-methylcarbamate, 0,0-dimethylphosphorodithioate of diethylmercaptosuccinate; or mixtures of the latter named chemical insecticidal agents and to the use of the above compositions for protecting agricultural crops from attack by insect pests.

  本发明涉及一种新型杀虫组合物，包括苯氧基苯甲酸螺环羧酸酯和氯化桉脑的杀虫剂；0,0-二甲基-0-p-硝基苯基磷酰硫代酸酯；N'-(4-氯-邻甲基苯基)-N,N-二甲基甲酰胺；2-(二乙氧磷酰亚胺)-4-甲基-1,3-二硫杂环己烷；0,0-二甲基-S-[4-氧代-1,2,3-苯并三氮杂-3-(4H)-基甲基]磷酰二硫代酸酯；1-萘基-N-甲基氨基甲酸酯，0,0-二甲基磷酰二硫代琥珀酸二乙硫醇酯；或后者命名的化学杀虫剂的混合物，并且本发明还涉及上述组合物用于保护农作物免受昆虫害虫攻击的用途。
• P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160032330A1

  公开（公告）日：2016-02-04

  The present invention pertains to the use of engineered variants of enzyme CYP102A, also known as P450-BM3, for cyclopropanation of olefins containing electron-withdrawing groups. One exemplary enzyme variant, referred to as BM3-HStar, contains five mutations away from wild-type P450-BM3, and demonstrates high activity towards cyclopropanation of olefinic substrates using ethyldiazoacetate (EDA) and other carbene transfer reagents. Products of these reactions are potential precursors of levomilnacipran derivatives, a class of compounds that have been shown to be selective inhibitors of monoamine transporters. In addition, cyclopropanation reactions with the P450-BM3 enzyme variants of the invention can be conducted in whole cells expressing the enzyme variants and can proceed under aerobic conditions.
• US3962458A
  申请人：——

  公开号：US3962458A

  公开（公告）日：1976-06-08