diethyl 2-(3-phenylpropyl)malonate | 26395-09-5

• 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: diethyl 2-(3-phenylpropyl)malonate
• 英文别名: ethyl 2-carboethoxy-5-phenyl-pentanoate；Diethyl 3-phenylpropylmalonate；diethyl 2-(3-phenylpropyl)propanedioate
• CAS: 26395-09-5
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: IRRMRULGUABRDC-UHFFFAOYSA-N

物化性质

• 沸点：
  189-194 °C(Press: 13 Torr)
• 密度：
  1.0546 g/cm3(Temp: 18 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 2-(3-phenylpropyl)malonate 生成 (±)-2-methyl-5-phenylpentanoic acid
  参考文献：
  名称：

  Medium Ring-size Effect in 2′, 3-Polymethylen-3-alkyl-2-phenylindolenines

  摘要：

  DOI：

  10.1246/bcsj.35.1380
• 作为产物：
  描述：

  3-苯丙醇 在 potassium fluoride 、 四丁基碘化铵 、 sodium hydride 、 N,N-二异丙基乙胺 、 N,N-硫酰二咪唑 作用下， 以 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 反应 1.17h， 生成 diethyl 2-(3-phenylpropyl)malonate
  参考文献：
  名称：

  硫酰氟介导的醇的一锅脱氧和取代

  摘要：

  硫酰氟是用于一键活化和衍生化脂肪醇的有价值的试剂，但是高反应性的烷基氟硫酸烷基酯中间体限制了可以进行的反应类型以及反应范围。在本文中，我们报道了SO 2 F 2介导的醇取代和脱氧方法，该方法依赖于氟代硫酸盐向烷基卤化物中间体的转化。该策略允许扩展SO 2 F 2介导的一锅法包括自由基反应，其中烷基卤也可在温和条件下（52-95％的收率）用于伯醇的一锅法脱氧。这种策略还可以扩大以前与一锅SO 2 F 2介导的醇活化不相容的亲核试剂的取代范围，并能够以54-95％的产率取代伯醇和仲醇。手性仲醇具有高度立体特异性（90-98％ee）的双亲核取代，且整体保留构型。

  DOI：

  10.1021/acs.joc.0c02557

文献信息

• Amidocarboxylic acid derivatives
  申请人：Sankyo Company, Limited

  公开号：US06528525B1

  公开（公告）日：2003-03-04

  Amidocarboxylic acid derivatives of the formula: wherein R1 represents a hydrogen atom, etc.; R2 represents an alkylene group; R3 represents a hydrogen atom, etc.; R4 represents a hydrogen atom, etc.; X represents a substituted or unsubstituted aryl group, etc.,; Y represents an oxygen atom, etc.; Z represents an alkylene group, etc.; and W represents an alkyl group, etc.; and pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof are useful as the active ingredient of pharmaceutical compositions. They may be used to treat specified diseases, including diabetes mellitus, hyperlipemia, arteriosclerosis, hypertension, etc.

  公式为：其中R1代表氢原子，等等；R2代表烷基团；R3代表氢原子，等等；R4代表氢原子，等等；X代表取代或未取代的芳基团，等等；Y代表氧原子，等等；Z代表烷基团，等等；W代表烷基团，等等；以及其药理学上可接受的盐和药理学上可接受的酯作为药物组合物的活性成分是有用的。它们可用于治疗特定疾病，包括糖尿病、高脂血症、动脉硬化、高血压等。
• Metal-Free Hydrogenation of Electron-Poor Allenes and Alkenes
  作者：Blanca Inés、David Palomas、Sigrid Holle、Sebastian Steinberg、Juan A. Nicasio、Manuel Alcarazo

  DOI：10.1002/anie.201205348

  日期：2012.12.3

  The poorer, the better: A metal‐free catalytic procedure for the reduction of electron‐poor allenes and alkenes has been developed. The method employs a frustrated Lewis pair based catalyst. 1,4‐Diazabicyclo[2.2.2]octane (DABCO)/B(C6F5)3 was shown to be the best combination in optimization studies.

  越差越好：已开发出一种用于减少电子贫乏的烯和烯烃的无金属催化方法。该方法使用沮丧的路易斯对基催化剂。1,4-二氮杂双环[2.2.2]辛烷（DABCO）/ B（C 6 F 5）3被证明是优化研究的最佳组合。
• Substituted cycloalkanecarboxylic acid derivatives as matrix
  申请人：Bayer Corporation

  公开号：US05886022A1

  公开（公告）日：1999-03-23

  Inhibitors for matrix metalloproteases, pharmaceutical compositions containing them, and a process for using them to treat a variety of physiological conditions. The compounds of the invention have the generalized formula ##STR1## wherein each T is a substituent g roup; x is 0, 1, or 2; the group D represents ##STR2## the subscript "e" is 2 or 3; the group R.sup.14 represents a variety of possible substituent groups of the cycloalkyl ring between D and G; the subscript "k" is 0-2; and the group G represents M, ##STR3## in which M represents --CO.sub.2 H, --CON(R.sup.11).sub.2, or --CO.sub.2 R.sup.12 ; and R.sup.13 represents any of the side chains of the 19 noncyclic occurring amino acids.

  抑制基质金属蛋白酶的抑制剂，含有它们的药物组合物，以及使用它们治疗各种生理状况的方法。该发明的化合物具有一般化学式##STR1##其中每个T是一个取代基团；x为0、1或2；D代表##STR2##下标"e"为2或3；R.sup.14代表D和G之间的环烷基环上可能的各种取代基团；下标"k"为0-2；G代表M，##STR3##其中M代表--CO.sub.2 H，--CON(R.sup.11).sub.2，或--CO.sub.2 R.sup.12；R.sup.13代表19种非环状氨基酸的任何一个侧链。
• Triazolopyrimidines
  申请人：——

  公开号：US20040063729A1

  公开（公告）日：2004-04-01

  The invention relates to novel triazolopyrimidines of the formula 1 wherein X represents halogen, Y represents a hydrogen atom or halogen, and R has the meanings given in the disclosure, to a process for the preparation of the new compounds, and to their use as microbicides.

  这项发明涉及公式 1 中的新型三唑嘧啶化合物， 其中 X代表卤素， Y代表氢原子或卤素，以及 R具有披露中给出的含义， 以及制备新化合物的方法，以及它们作为微生物杀灭剂的用途。
• .beta.-thiopropionyl-aminoacid derivatives and their use as
  申请人：SmithKline Beecham p.l.c.

  公开号：US06048852A1

  公开（公告）日：2000-04-11

  A method of treatment of bacterial infections in humans or animals which comprises administering, in combination with a .beta.-lactam antibiotic, a therapeutically effective amount of an amino acid derivative of Formula (I) or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof, ##STR1## wherein: R is hydrogen, a salt forming cation or an in vivo hydrolysable ester-forming group; R.sub.1 is hydrogen, (C.sub.1-6)alkyl optionally substituted by up to three halogen atoms or by a mercapto, (C.sub.1-6)alkoxy, hydroxy, amino, nitro, carboxy, (C.sub.1-6)alkylcarbonyloxy, (C.sub.1-6)alkoxycarbonyl, formyl or (C.sub.1-6)alkylcarbonyl group, (C.sub.3-7)cycloalkyl, (C.sub.3-7)cycloalkyl(C.sub.2-6)alkyl, (C.sub.2-6)alkenyl, (C.sub.2-6)alkynyl, aryl, aryl(C.sub.1-6)alkyl, heterocyclyl or heterocyclyl(C.sub.1-6)alkyl; R.sub.2 is hydrogen, (C.sub.1-6)alkyl or aryl(C.sub.1-6)alkyl; R.sub.3 is hydrogen, (C.sub.1-6)alkyl optionally substituted by up to three halogen atoms, (C.sub.3-7)cycloalkyl, fused aryl(C.sub.3-7)cycloalkyl, (C.sub.3-7)cycloalkyl(C.sub.2-6)alkyl, (C.sub.2-6)alkenyl, (C.sub.2-6)alkynyl, aryl, aryl-(CHR.sub.10).sub.m --X--(CHR.sub.11).sub.n, heterocyclyl or heterocyclyl-(CHR.sub.10).sub.m --X--(CHR.sub.11).sub.n, where m is 0 to 3, n is 1 to 3, each R.sub.10 and R.sub.11 is independently hydrogen or (C.sub.1-4)alkyl and X is O, S(O).sub.x where x is 0-2, or a bond; R.sub.4 is hydrogen, or an in vivo hydrolysable acyl group; and R.sub.5 and R.sub.6 are independently hydrogen and (C.sub.1-6)alkyl or together represent (CH.sub.2).sub.p where p is 2 to 5. Some compounds are claimed per se.

  一种治疗人类或动物细菌感染的方法，包括与β-内酰胺类抗生素联合给药，给予公式(I)的氨基酸衍生物的治疗有效量或其药用可接受的盐、溶剂化合物或体内可水解酯的治疗有效量，其中：R为氢、形成盐的阳离子或体内可水解酯形成基团；R.sub.1为氢、(C.sub.1-6)烷基，可选地被高达三个卤素原子或巯基、(C.sub.1-6)烷氧基、羟基、氨基、硝基、羧基、(C.sub.1-6)烷基羰氧基、(C.sub.1-6)烷氧羰基、甲酰基或(C.sub.1-6)烷基羰基取代，(C.sub.3-7)环烷基，(C.sub.3-7)环烷基(C.sub.2-6)烷基，(C.sub.2-6)烯基，(C.sub.2-6)炔基，芳基，芳基(C.sub.1-6)烷基，杂环烷基或杂环烷基(C.sub.1-6)烷基；R.sub.2为氢，(C.sub.1-6)烷基或芳基(C.sub.1-6)烷基；R.sub.3为氢，(C.sub.1-6)烷基，可选地被高达三个卤素原子取代，(C.sub.3-7)环烷基，融合的芳基(C.sub.3-7)环烷基，(C.sub.3-7)环烷基(C.sub.2-6)烷基，(C.sub.2-6)烯基，(C.sub.2-6)炔基，芳基，芳基-(CHR.sub.10).sub.m --X--(CHR.sub.11).sub.n，杂环烷基或杂环烷基-(CHR.sub.10).sub.m --X--(CHR.sub.11).sub.n，其中m为0至3，n为1至3，每个R.sub.10和R.sub.11独立地为氢或(C.sub.1-4)烷基，X为O，S(O).sub.x，其中x为0-2，或键；R.sub.4为氢，或体内可水解的酰基；R.sub.5和R.sub.6独立地为氢和(C.sub.1-6)烷基，或一起代表(CH.sub.2).sub.p，其中p为2至5。一些化合物本身被要求。