2-(1-methylethyl)-2-butenoic acid | 77324-68-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(1-methylethyl)-2-butenoic acid
• 英文别名: 2-Isopropyl-crotonsaeure；2-(Propan-2-yl)but-2-enoic acid；2-propan-2-ylbut-2-enoic acid
• CAS: 77324-68-6
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: KPEWEFZCRAOPHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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-(1-methylethyl)-2-butenoic acid 在 乙醇 、 铂 作用下， 生成 2-乙基-3-甲基丁酸
  参考文献：
  名称：

  Synthesis of Viridifloric Acid

  摘要：

  DOI：

  10.1021/ja01157a044
• 作为产物：
  描述：

  Isopropyl-<1-isopropyloxy-ethyl>-malonsaeure-diethylester 在 氢氧化钾 作用下， 生成 2-(1-methylethyl)-2-butenoic acid
  参考文献：
  名称：

  Bogatskii,A.V.; P'yankova,G.V., Journal of general chemistry of the USSR, 1964, vol. 34, p. 2974 - 2976

  摘要：

  DOI：

文献信息

• γ-C (sp³)–H bond functionalisation of α,β-unsaturated amides through an umpolung strategy
  作者：Erika Futaki、Norihiko Takeda、Motohiro Yasui、Tetsuro Shinada、Okiko Miyata、Masafumi Ueda

  DOI：10.1039/d0ob00125b

  日期：——

  The nucleophilic γ-phenylation and γ-alkylation of α,β-unsaturated amides have been developed. This umpolung reaction allows the regioselective introduction of phenyl and alkyl groups to a vinylketene N,O-acetal, which is generated in situ from an α,β-unsaturated N-alkoxyamide, followed by N-O bond cleavage in a two-step, one-pot process.

  已经开发出α，β-不饱和酰胺的亲核性γ-苯基化和γ-烷基化。通过这种不连续的反应，可以将苯基和烷基区域选择性地引入乙烯基乙烯酮N，O-乙缩醛中，该基团由α，β-不饱和N-烷氧基酰胺原位生成，然后通过两步，一锅过程。
• The pheromone system of the male danaine butterfly, Idea leuconoe
  作者：S. Schulz、R. Nishida

  DOI：10.1016/0968-0896(96)00011-9

  日期：1996.3

  Male Idea leuconoe butterflies release a complex mixture of volatiles from their pheromone glands (hairpencils) during courtship. The pheromone components geranyl methyl thioether (2), viridifloric beta-lactone (3) and 6-hydroxy-4-dodecanolide (10) have been synthesized for the first lime. Therefore, the structural assignment of these new natural products could be proved. Related 7-hydroxy-5-alkanolides are also present in the extract. The volatiles are embedded in a lipidic matrix with more than 150 components. This matrix consists of alkanes, alkenes, 3,5-dialkyltetrahydrofurans, secondary alkanols and alkenols as well as alkanones and alkenones. Several regioisomers of the oxidized hydrocarbons occur. The elucidation of double bond positions has been performed by MS using DMDS adducts. Copyright (C) 1996 Elsevier Science Ltd
• Bogatskii,A.V. et al., Journal of Organic Chemistry USSR (English Translation), 1967, vol. 3, # 8, p. 1338 - 1342
  作者：Bogatskii,A.V. et al.

  DOI：——

  日期：——