2,3-dimethyl-1-butyl propanoate | 104214-11-1

• 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: 2,3-dimethyl-1-butyl propanoate
• 英文别名: 2-methyl-3-methylbutyl propanoic acid ester；propanoic acid, 2-methyl-3-methylbutyl ester；2,3-Dimethylbutyl propanoate
• CAS: 104214-11-1
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: ZMHFEPSAWQRGPY-UHFFFAOYSA-N

物化性质

• 沸点：
  173-175 °C
• 密度：
  0.872±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  2,3-dimethyl-1-butyl propanoate 、 叔丁基二甲基氯硅烷 以87%的产率得到
  参考文献：
  名称：

  WILCOX C. S.; BABSTON R. E., J. AMER. CHEM. SOC., 108,(1986) N 21, 6636-6642

  摘要：

  DOI：
• 作为产物：
  描述：

  Propionic acid 3-methyl-2-methylene-butyl ester 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、101.32 kPa 条件下， 反应 5.0h， 以69%的产率得到2,3-dimethyl-1-butyl propanoate
  参考文献：
  名称：

  Substituent effects in [3,3]-sigmatropic rearrangements. Alkyl group effects and transition-state syn-diaxial interactions

  摘要：

  DOI：

  10.1021/ja00281a031

文献信息

• Novel endophytic fungi and methods of use
  申请人：——

  公开号：US20030186425A1

  公开（公告）日：2003-10-02

  This invention provides a novel endophytic fungus, Muscodor, that produces a mixture of volatile antibiotics with activity on specific plant pathogens, bacteria, nematodes and insects. Also provided is a method for treating or protecting plants, soil and seeds from microbial infections comprising applying an effective amount of a volatile antibiotic producing Muscodor sp. The invention also relates to fungicidal, bactericidal, insecticidal and nematicidal compositions comprising this novel Muscodor strain and the antibiotics and metabolites produced by this strain either alone, or in combination with other chemical and biological pesticides. Also provided is a method for identifying and isolating related gas producing fungi.

  这项发明提供了一种新型内生真菌Muscodor，它产生一种挥发性抗生素混合物，对特定植物病原菌、细菌、线虫和昆虫具有活性。还提供了一种用于治疗或保护植物、土壤和种子免受微生物感染的方法，包括施用产生挥发性抗生素的Muscodor sp.的有效量。该发明还涉及包含这种新型Muscodor菌株及该菌株产生的抗生素和代谢产物的杀菌剂、杀菌剂、杀虫剂和杀线虫剂组合物，无论是单独使用还是与其他化学和生物杀虫剂结合使用。还提供了一种识别和分离相关气体产生真菌的方法。
• Compositions related to a novel endophytic fungi and methods of use
  申请人：——

  公开号：US20040141955A1

  公开（公告）日：2004-07-22

  This invention provides pesticidally effective compositions related to a novel endophytic fungi named Muscodor. Specifically, the invention relates to commercially useful formulations of Muscodor and methods for preparing such formulations. It also provides various synthetic pesticidal mixtures of volatile organic compounds isolatable from Muscodor grown on various substrates. Also provided are methods for inhibiting the growth of organisms, such as microbes, insects, and nematodes by exposing such organisms or the habitats thereof to the above Muscodor-related compositions.

  这项发明提供了与一种名为Muscodor的新型内生真菌相关的具有杀虫效果的组合物。具体来说，该发明涉及Muscodor的商业上有用的配方以及制备这种配方的方法。它还提供了从在各种基质上生长的Muscodor中分离出的各种合成杀虫混合物的挥发性有机化合物。还提供了通过将这些生物或其栖息地暴露给上述与Muscodor相关的组合物来抑制生物的生长的方法，例如微生物、昆虫和线虫。
• Benzamidine derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040248981A1

  公开（公告）日：2004-12-09

  Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: 1 wherein R 1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R 2 represents a hydrogen atom, a halogen atom or an alkyl group, R 3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R 4 and R 5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl-group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R 6 represents a substituted pyrrolidine group or substituted piperidine group.

  公式（I）中的苯甲酰胺衍生物或其药学上可接受的盐表现出优异的抑制因子Xa的活性，可用于治疗或预防血液凝固障碍：其中R1代表氢原子，卤原子，烷基或羟基；R2代表氢原子，卤原子或烷基，R3代表氢原子，可选取代的烷基，芳基烷基，可选取代的烷酰基或可选取代的烷基磺酰基，R4和R5相同或不同，每个代表氢原子，卤原子，可选取代的烷基，烷氧基，羧基，烷氧羰基或可选取代的氨基甲酰基，而R6代表取代的吡咯烷基或取代的哌嗪烷基。
• BENZAMIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1245564A1

  公开（公告）日：2002-10-02

  Benzamidine derivatives of formula (I) or pharmaceutically acceptable salts thereof exhibit excellent inhibitory activity against factor Xa and are useful for treating or preventing blood coagulation disorders: wherein R1 represents a hydrogen atom, a halogen atom, an alkyl group or a hydroxyl group; R2 represents a hydrogen atom, a halogen atom or an alkyl group, R3 represents a hydrogen atom, an optionally substituted alkyl group, an aralkyl group, an optionally substituted alkanoyl group or an optionally substituted alkylsulfonyl group, R4 and R5 are the same as or different from each other and each represent a hydrogen atom, a halogen atom, an optionally substituted alkyl group, an alkoxy group, a carboxyl group, an alkoxycarbonyl group or an optionally substituted carbamoyl group, and R6 represents a substituted pyrrolidine group or substituted piperidine group.

  式（I）的苯甲脒衍生物或其药学上可接受的盐类对 Xa 因子具有优异的抑制活性，可用于治疗或预防血液凝固紊乱： 其中 R1 代表氢原子、卤素原子、烷基或羟基；R2代表氢原子、卤素原子或烷基，R3代表氢原子、任选取代的烷基、芳烷基、任选取代的烷酰基或任选取代的烷磺酰基，R4和R5彼此相同或不同，各自代表氢原子、卤素原子、任选取代的烷基、烷氧基、羧基、烷氧羰基或任选取代的氨基甲酰基，R6代表取代的吡咯烷基或取代的哌啶基。
• US6555556B1
  申请人：——

  公开号：US6555556B1

  公开（公告）日：2003-04-29