3-(3-methyl-2-buten-1-yl)malonate | 1334485-21-0

• 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: 3-(3-methyl-2-buten-1-yl)malonate
• 英文别名: 3-(3-Methylbut-2-enoxy)-3-oxopropanoic acid；3-(3-methylbut-2-enoxy)-3-oxopropanoic acid
• CAS: 1334485-21-0
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: NSJOAWXCNPGVFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-methyl-2-buten-1-yl)malonate 在 potassium tert-butylate 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 0.33h， 生成 3-methylbut-2-en-1-yl 2-methyl-3-(methyl(phenyl)amino)-3-oxopropanoate
  参考文献：
  名称：

  DDQ-mediated Direct Intramolecular-Dehydrogenative-Coupling (IDC): Expeditious Approach to the Tetracyclic Core of Ergot Alkaloids

  摘要：

  An efficient route to 2-oxindoles bearing an all-carbon quaternary center at the pseudobenzylic position has been developed via a DDQ-mediated Intramolecular-Dehydrogenative-Coupling (IDC). The methodology involves a one-pot C-alkylation of beta-N-arylamido esters (7) concomitant with dehydrogenative-coupling in the presence of stoichiometric amount of DDQ. A tentative mechanistic route has been proposed for the oxidative coupling. The methodology provides a two-step entry to the ergoline structure of ergot alkaloids.

  DOI：

  10.1021/ol400899e
• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 异戊烯醇 反应 12.0h， 以94%的产率得到3-(3-methyl-2-buten-1-yl)malonate
  参考文献：
  名称：

  Biomimetic Total Synthesis of Angelicoin A and B via a Palladium-Catalyzed Decarboxylative Prenylation-Aromatization Sequence

  摘要：

  Five-step total syntheses of angelicoin A and B from 2,2,6-trimethyl-4-dioxinone are reported using late stage biomimetic aromatization reactions via diketo-dioxinones as intermediates. In addition, with angelicoin A, this aromatization was coupled with a palladium-catalyzed decarboxylative prenylation in a one-pot sequence as the key step.

  DOI：

  10.1021/ol202320m

文献信息

• Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof
  申请人：Richard Herve

  公开号：US20050129636A1

  公开（公告）日：2005-06-16

  Novel 4,4-diarylbutadiene-substituted diorganopolysiloxanes having the structural formulae (1) or (2): in which A is a radical of formula (3) below: are useful sunscreens for UV-photoprotecting human skin against the damaging effects of UV-radiation, notably UV-A radiation.

  新型4,4-二芳基丁二烯取代的二有机聚硅氧烷，其结构式为(1)或(2)：其中A是下式(3)的基团：对于抵御UV辐射对人体皮肤的损害，特别是UV-A辐射，这些化合物是有用的防晒剂。
• Amino alcohol derivative, addition salt thereof, and immunosuppressant
  申请人：Kohno Yasushi

  公开号：US20060135622A1

  公开（公告）日：2006-06-22

  An amino alcohol derivative represented by the following general formula (1) (for example, (±)-2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentane-1-ol) exhibits strong immunosuppressive effect while causing less side effects:

  下列通式（1）所代表的氨基醇衍生物（例如，（±）-2-氨基-5-[4-(3-苄氧基苯基硫基)-2-氯苯基]-2-甲基戊醇）表现出强烈的免疫抑制作用，同时引起较少的副作用。
• Amino alcohol derivatives, salts thereof and immunosuppresive agents
  申请人：Kohno Yasushi

  公开号：US20090156653A1

  公开（公告）日：2009-06-18

  An amino alcohol derivative represented by the following general formula (1) (for example, (±)-2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentane- 1 -ol) exhibits strong immunosuppressive effect while causing less side effects:

  以下是一种氨基醇衍生物的通用式（1）（例如，（±）-2-氨基-5-[4-(3-苄氧基苯基硫基)-2-氯苯基]-2-甲基戊烷-1-醇），它表现出强烈的免疫抑制作用，同时引起较少的副作用：
• AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP1548003A1

  公开（公告）日：2005-06-29

  An amino alcohol derivative represented by the following general formula (1) (for example, (±)-2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentane-1-ol) exhibits strong immunosuppressive effect while causing less side effects:

  由以下通式（1）代表的氨基醇衍生物（例如，(±)-2-氨基-5-[4-(3-苄氧基苯硫基)-2-氯苯基]-2-甲基戊-1-醇）具有很强的免疫抑制作用，同时副作用较小：
• Amino alcohol derivatives, salts thereof and immunosuppressive agents
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP2617711A1

  公开（公告）日：2013-07-24

  An amino alcohol derivative represented by the following general formula (1) (for example, (±)-2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentane-1-ol) exhibits strong immunosuppressive effect while causing less side effects:

  由以下通式（1）代表的氨基醇衍生物（例如，(±)-2-氨基-5-[4-(3-苄氧基苯硫基)-2-氯苯基]-2-甲基戊-1-醇）具有很强的免疫抑制作用，同时副作用较小：