2,2-二甲基-乙酰乙酸酰胺 | 66483-64-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,2-二甲基-乙酰乙酸酰胺
• 英文名称: 2,2-dimethyl-acetoacetic acid amide
• 英文别名: 2,2-Dimethyl-acetessigsaeure-amid；2,2-Dimethyl-3-oxobutanamid；Butanamide, 2,2-dimethyl-3-oxo-；2,2-dimethyl-3-oxobutanamide
• CAS: 66483-64-5
• 化学式: C₆H₁₁NO₂
• mdl: MFCD18827164
• 分子量: 129.159
• InChiKey: DWQKDHYXXGGXNQ-UHFFFAOYSA-N

物化性质

• 熔点：
  120-121.5 °C
• 沸点：
  253.9±23.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-乙酰乙酸酰胺 、 水 生成 环戊[b]吡咯-6-腈，八氢-2-氧-，[3aS-(3aalpha，6alpha，6aalpha)]-(9CI)
  参考文献：
  名称：

  POWELL J. E.; OSUCH C.; BURKHOLDER H. R.; KULPRATHIPANJA S.; MILLER J. H.+, J. ORG. CHEM., 1978, 43, NO 16, 3166-3169

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基-3-氧代丁酸乙酯 在 ammonium hydroxide 作用下， 生成 2,2-二甲基-乙酰乙酸酰胺
  参考文献：
  名称：

  Meyer,H., Monatshefte fur Chemie, 1906, vol. 27, p. 1092

  摘要：

  DOI：

文献信息

• DNA Methyltransferase inhibitors
  申请人：The Penn State Research Foundation

  公开号：EP1420021A1

  公开（公告）日：2004-05-19

  A compound of the formula or a pharmaceutically acceptable salt thereof, whereinR1, R2, and R3 are the same or different and are independently hydrogen, lower alkyl, aryl or substituted aryl, lower alkoxy, lower alkoxyalkyl, or cycloalkyl or cycloalkyl alkoxy, where each cycloalkyl group has from 3-7 members, where up to two of the cycloalkyl members are optionally hetero atoms selected from oxygen and nitrogen, and where any member of the alkyl, aryl or cycloalkyl group is optionally substituted with halogen, lower alkyl or lower alkoxy, aryl or substituted aryl, and whereR3 can be ribose, deoxyribose or phosphorylated derivatives thereof, whereinR1, R2, and R3 are not all hydrogen and whereinwhen R3 is ribose, deoxyribose or phosphorylated derivatives thereof, one of R1 or R2 is not hydrogen.

  该化合物的结构式为 或其药用可接受盐， 其中R1、R2和R3相同或不同，且独立地为氢、较低烷基、芳基或取代芳基、较低烷氧基、较低烷氧基烷基、环烷基或环烷基烷氧基，其中每个环烷基团具有3-7个成员，其中最多两个环烷基成员可选择为氧和氮，且烷基、芳基或环烷基团的任何成员可选择地取代有卤素、较低烷基或较低烷氧基、芳基或取代芳基，以及 其中R3可以是核糖、脱氧核糖或其磷酸化衍生物， 其中R1、R2和R3不全为氢， 当R3为核糖、脱氧核糖或其磷酸化衍生物时，R1或R2中的一个不是氢。
• Piperidine derivative and use thereof
  申请人：Shirai Junya

  公开号：US20080275085A1

  公开（公告）日：2008-11-06

  The present invention provides a novel piperidine derivative and a tachykinin receptor antagonist containing same, as well as a compound represented by the formula: wherein R 1 is carbamoylmethyl, methylsulfonylethylcarbonyl and the like; R 2 is methyl or cyclopropyl; R 3 is a hydrogen atom or methyl; R 4 is a chlorine atom or trifluoromethyl; R 5 is a chlorine atom or trifluoromethyl; and a group represented by the formula: is a group represented by the formula: wherein R 6 is a hydrogen atom, methyl, ethyl or isopropyl; R 7 is a hydrogen atom, methyl or a chlorine atom; and R 8 is a hydrogen atom, a fluorine atom, a chlorine atom or methyl; or 3-methylthiophen-2-yl, and a salt thereof.

  本发明提供了一种新颖的哌啶衍生物和含有该衍生物的催吐肽受体拮抗剂，以及由下式表示的化合物： 其中R1为羰胺甲基、甲磺酰乙基羰基等；R2为甲基或环丙基；R3为氢原子或甲基；R4为氯原子或三氟甲基；R5为氯原子或三氟甲基；以及由下式表示的基团： 是由下式表示的基团： 其中R6为氢原子、甲基、乙基或异丙基；R7为氢原子、甲基或氯原子；R8为氢原子、氟原子、氯原子或甲基；或3-甲基噻吩-2-基，并且其盐。
• [EN] POLYMERS PREPARED FROM MEVALONOLACTONE AND DERIVATIVES<br/>[FR] POLYMÈRES PRÉPARÉS À PARTIR DE LA MÉVALONOLACTONE ET DE SES DÉRIVÉS
  申请人：VISOLIS INC

  公开号：WO2016077555A1

  公开（公告）日：2016-05-19

  Described herein polymer precursor compounds (aka polymer building blocks) of derived from biobased compounds, and specifically biobased mevalonolactone and its related derivatives. Through oxidation these biobased precursors can be reacted to yield building blocks for (unsaturated-) polyesters, polyester polyols and polyamides, as well as precursors for glycidyl esters and omega-alkenyl esters. Through reduction, these biobased precursors can be reacted to yield building blocks for (unsaturated-) polyesters, polyester polyols, polycarbonates, as well as precursors for glycidyl ethers and omega-alkenyl ethers. Through nucleophilic ring opening and/or amidation, these biobased precursors can be reacted to yield building blocks for polyester polyols, chain-extender for polyurethanes, or polyester-amides.

  本文描述了从生物基化合物中衍生的聚合物前体化合物（又称聚合物构建模块），特别是生物基美伐酮内酯及其相关衍生物。通过氧化，这些生物基前体可以被反应生成（不饱和的）聚酯、聚酯多元醇和聚酰胺的构建模块，以及环氧酯和ω-烯基酯的前体。通过还原，这些生物基前体可以被反应生成（不饱和的）聚酯、聚酯多元醇、聚碳酸酯的构建模块，以及环氧醚和ω-烯基醚的前体。通过亲核环开和/或酰胺化，这些生物基前体可以被反应生成聚酯多元醇的构建模块，聚氨酯的扩链剂，或聚酯酰胺。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2005075439A1

  公开（公告）日：2005-08-18

  A quinazoline derivative of the formula (I) wherein: R1, R2, R3, R3a, R4, R5, R5a R6, R7, a, m and p are as defined in the description. Also claimed are pharmaceutical compositions containing the quinazoline derivative, the use of the quinazoline derivatives as medicaments and processes for the preparation of the quinazoline derivative. The quinazoline derivatives of formula (I), are useful in the treatment of hyperproliferative disorders such as a cancer.

  一种式(I)的喹唑啉衍生物，其中：R1、R2、R3、R3a、R4、R5、R5a、R6、R7、a、m和p如描述中所定义。还声明含有该喹唑啉衍生物的药物组合物，以及将该喹唑啉衍生物用作药物和制备该喹唑啉衍生物的方法。式(I)的喹唑啉衍生物在治疗高增殖性疾病如癌症方面具有用途。
• POLYMERS PREPARED FROM MEVALONOLACTONE AND DERIVATIVES
  申请人：Visolis, Inc.

  公开号：US20160130389A1

  公开（公告）日：2016-05-12

  Described herein polymer precursor compounds (aka polymer building blocks) of derived from biobased compounds, and specifically biobased mevalonolactone and its related derivatives. Through oxidation these biobased precursors can be reacted to yield building blocks for (unsaturated-) polyesters, polyester polyols and polyamides, as well as precursors for glycidyl esters and omega-alkenyl esters. Through reduction, these biobased precursors can be reacted to yield building blocks for (unsaturated-) polyesters, polyester polyols, polycarbonates, as well as precursors for glycidyl ethers and omega-alkenyl ethers. Through nucleophilic ring opening and/or amidation, these biobased precursors can be reacted to yield building blocks for polyester polyols, chain-extender for polyurethanes, or polyester-amides.

  本文描述了从生物基化合物中衍生出的聚合物前体化合物（又称聚合物构建块），特别是生物基美瓦酮内酯及其相关衍生物。通过氧化，这些生物基前体可以反应产生（不饱和）聚酯、聚酯多元醇和聚酰胺的构建块，以及环氧酯和ω-烯基酯的前体。通过还原，这些生物基前体可以反应产生（不饱和）聚酯、聚酯多元醇、聚碳酸酯的构建块，以及环氧醚和ω-烯基醚的前体。通过亲核环开和/或酰胺化，这些生物基前体可以反应产生聚酯多元醇、聚氨酯的链延长剂，或聚酯酰胺的构建块。