3-乙基-3-羟基-2-庚酮 | 54658-03-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-乙基-3-羟基-2-庚酮
• 英文名称: 3-ethyl-3-hydroxy-2-heptanone
• 英文别名: 3-Aethyl-3-hydroxy-heptan-2-on；3-ethyl-3-hydroxyheptan-2-one
• CAS: 54658-03-6
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: DBGUSILTSVPXGI-UHFFFAOYSA-N

物化性质

• 沸点：
  195.3±8.0 °C(Predicted)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2914400090

反应信息

• 作为反应物：
  描述：

  3-乙基-3-羟基-2-庚酮 、 L-半胱氨酸乙酯盐酸盐 以 吡啶 为溶剂， 以45%的产率得到-2 methyl-2 thiazolidine carboxylate d'ethyle-4 (R)
  参考文献：
  名称：

  Hamri, Abdesselam; Pera, Marie-Helene; Fillion, Houda, Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1629 - 1633

  摘要：

  DOI：
• 作为产物：
  描述：

  3-庚酮 在 lithium aluminium tetrahydride 、 三氯化铝 、 Sharpless β-AD mix 作用下， 生成 3-乙基-3-羟基-2-庚酮
  参考文献：
  名称：

  Asymmetric dihydroxylation of disubstituted allenes

  摘要：

  Asymmetric dihydroxylation of 1,1-disubstituted and 1,3-disubstituted allenes can be used to synthesize chiral alpha-hydroxy ketones. We have also obtained alpha,alpha'-dihydroxy ketones with high enantioselectivity from 1,3-disubstituted allenes. Low conversion of the dihydroxylation of chiral allenes can be used as a kinetic resolution of sterically hindered allenes. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.138

文献信息

• Derivatives of 4,5-dihydro-4-oxofuran-2-carboxylic acid, especially for use as hypolipidemic agents, processes for their preparation, pharmaceutical compositions comprising them, tetrahydropyran-2,3,5-triones useful in the preparation of the said derivatives and a process for preparing these tetrahydropyran-2,3,5-triones
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0006305A1

  公开（公告）日：1980-01-09

  Compounds of formula I in which R1 and R2 each is lower alkyl, cyclo(lower)alkyl, lower alkoxy(lower)alkylene, phenyl or phenyl mono- or disubstituted with lower alkyl, lower alkoxy, halo, nitro or trifluoromethyl; or RI and R2 together form a -(CH2)m-X-(CH2)n- chain wherein m and n each is an integer from one to four and X is methylene, oxa or thia; or R1 and R2 together with the carbon atom to which they are joined form a spiro-[1,2,3,4-tetrahydronaphthalene]-1 or spiro[indan]-1 radical; R3 is hydrogen or lower alkyl; and R' is hydrogen, lower alkyl, cyclo(lower)alkyl, phenyl(lower)alkylene, amino-(lower)alkylene, lower alkylamino(lower)alkylene, di(lower alkyl)amino(lower)alkylene or 3-pyridinyl(lower)alkylene, or a therapeutically acceptable addition salt thereof are disclosed which possess hypolipidemic activity, and can be used in pharmaceutical compositions. The compounds of formula I may be prepared by cyclising a corresponding compound of formula X and if desired esterifying. Tetrahydropyran-2,3,5-trione intermediates are also disclosed.

  式 I 的化合物 其中 R1 和 R2 各自为低级烷基、环（低级）烷基、低级烷氧基（低级）亚烷基、苯基或与低级烷基、低级烷氧基、卤代、硝基或三氟甲基单取代或二取代的苯基；或 RI 和 R2 共同形成-(CH2)m-X-(CH2)n-链，其中 m 和 n 均为 1 至 4 的整数，X 为亚甲基、氧杂环丁烷或硫杂环丁烷；或 R1 和 R2 与它们连接的碳原子共同形成螺-[1,2,3,4-四氢萘]-1 或螺[茚]-1 自由基；R3是氢或低级烷基；R'是氢、低级烷基、环（低级）烷基、苯基（低级）亚烷基、氨基（低级）亚烷基、低级烷基氨基（低级）亚烷基、二（低级烷基）氨基（低级）亚烷基或 3-吡啶基（低级）亚烷基，或其治疗上可接受的加成盐，这些化合物具有降血脂活性，可用于药物组合物中。 式 I 化合物可通过环化相应的式 X 化合物 并根据需要进行酯化。此外，还公开了四氢吡喃-2,3,5-三酮中间体。
• DIALDIMIN, DIALDIMIN ENTHALTENDE EMULSION, SOWIE ZWEIKOMPONENTIGE POLYURETHANZUSAMMENSETZUNG UND DEREN VERWENDUNGEN
  申请人：Sika Technology AG

  公开号：EP2137137A1

  公开（公告）日：2009-12-30
• POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME
  申请人：LIU Chi-Ming

  公开号：US20120328799A1

  公开（公告）日：2012-12-27

  A photosensitive resin composition and a method for forming patterns by using the same are disclosed. The photosensitive resin composition comprises a novolac resin (A), an ortho-naphthoquinone diazide sulfonic acid ester (B) and a ketol solvent (C). The novolac resin (A) includes a high-ortho novolac resin (A-1) that has ortho-ortho methylene bonding to all methylene bonding in a ratio of 18% to 25%, and a weight ratio (A-1)/(C) of the high-ortho novolac resin (A-1) to the ketol solvent (C) is 0.1 to 2.0, thereby exhibiting excellent temporal stability and further forming patterns with superior film to thickness uniformity and high resolution.
• [EN] DERIVATIVES OF 4,5-DIHYDRO-4-OXOFURAN-2-CARBOXYLIC ACID,PREPARATIONS AND USE THEREOF AND TETRAHYDROPYRAN-2,3,5-TRIONE INTERMEDIATES
  申请人：——

  公开号：WO1980000025A1

  公开（公告）日：1980-01-10

  (EN) Compounds of formula I (FORMULA) in which R1 and R2 each is lower alkyl, cyclo (lower) alkyl, lower alkoxy (lower) alkylene, phenyl or phenyl mono- or disubstituted with lower alkyl, lower alkoxy, halo, nitro or trifluoromethyl; or R1 and R2 together form a -(CH2)m-X-(CH2)n- chain wherein m and n each is an integer from one to four and X is methylene, oxa or thia; or R1 and R2 together with the carbon atom to which they are joined form a spiro(1,2,3,4-tetrahydro napthalene)-1 or spiro(indan)-1 radical; R3 is hydrogen or lower alkyl; and R4 is hydrogen, lower alkyl, cyclo (lower) alkyl, phenyl (lower) alkylene, amino (lower) alkylene, lower alkyl-amino (lower) alkylene, di (lower alkyl) amino (lower) alkylene or 3-pyridinyl (lower) alkylene, or a therapeutically acceptable addition salt thereof are disclosed which possess hypolipidemic activity, and can be used in pharmaceutical compositions. The compounds of formula I may be prepared by cyclising a corresponding compound of formula X (FORMULA) and if desired esterifying. Tetrahydropyran-2,3,5-trione intermediates are also disclosed. (FR) Composes de formule I (FORMULE) dans laquelle R1 et R2 sont chacun un alkyle inferieur, un cycloalkyle (inferieur), un alkoxy inferieur alkylene (inferieur), un phenyle ou phenyle mono ou bisubstitue avec un alkyle inferieur, un alkoxy inferieur, un nitro ou trifluoromethyle; ou R1 et R2 forment ensemble une chaine - (CH2) m - X - (CH2) n - dans laquelle m et n sont chacun un nombre entier compris entre un et quatre et X est un methylene, oxa ou thia; ou R1 et R2 forment ensemble avec l"atome de carbone auquel ils sont rattaches un radical spiro (1,2,3,4-tetrahydronaphtalene)-1 ou un radical spiro(indan)-; R3 est l"hydrogene ou un alkyle inferieur et R4 est l"hydrogene, un alkyle inferieur, un cycloalkyle (inferieur), un phenyle, un alkylene (inferieur), un alkylene amino inferieur, un alkyle amino alkylene (inferieur), un diamino (alkyle inferieur) alkylene (inferieur) ou 3-pyridinyle alkylene (inferieur), ou un sel d"addition therapeutiquement acceptable, presentent une activite hypolipidique et peuvent etre utilises dans des compositions pharmaceutiques. Les composes de formule I peuvent etre prepares par cyclisation d"un compose correspondant de formule X (FORMULE) et, si desire, par esterification. Des substances intermediaires de tetrahydropyrane-2,3,5-trione sont egalement decrites.
• [DE] DIALDIMIN, DIALDIMIN ENTHALTENDE EMULSION, SOWIE ZWEIKOMPONENTIGE POLYURETHANZUSAMMENSETZUNG UND DEREN VERWENDUNGEN<br/>[EN] DIALDIMINE, EMULSION CONTAINING DIALDIMINE, AND BICOMPONENT POLYURETHANE COMPOSITION, AND THE USE THEREOF<br/>[FR] DIALDIMINE, ÉMULSION CONTENANT UNE DIALDIMINE, ET COMPOSITION DE POLYURÉTHANE À DEUX COMPOSANTS ET UTILISATIONS CORRESPONDANTES
  申请人：SIKA TECHNOLOGY AG

  公开号：WO2008107475A1

  公开（公告）日：2008-09-12

  [EN] The present invention relates to dialdimines of formula (I) and emulsions and uses thereof. In particular, paste-like hardener and/or accelerator components for polymers having isocyanate groups can be produced therefrom, which components lead to a very high early strength, which exhibit a good flow behavior during pumping, and which can be formulated without VOC solvents, in particular without N-alkyl pyrrolidones. These components can be mixed excellently homogeneously or inhomogeneously, and particularly also in layers, with components that contain polyurethane polymers having isocyanate groups. The bicomponent compositions so obtained cure rapidly, have an unusually high early strength, and thereby remain free of unwanted weak points.
  [FR] L'invention concerne des dialdimines de formule (I), leurs émulsions et leurs utilisations. Ces dialdimines permettent en particulier de produire des composants durcisseurs ou accélérateurs se présentant sous la forme d'une pâte pour des polymères comportant des groupes isocyanates, lesdits composants engendrant une résistance initiale très élevée, présentant un bon comportement au fluage lors du pompage et pouvant être formulés sans solvant de type COV, en particulier sans N-alkylpyrrolidone. Ces composants peuvent être mélangés d'une manière parfaitement homogène ou non homogène, en particulier aussi sous la forme de couches, avec des composants comprenant des polymères polyuréthanes comportant des groupes isocyanates. Selon l'invention, les compositions à deux composants selon l'invention durcissent rapidement, présentent une résistance initiale très élevée et demeurent par conséquent exemptes de zone de faiblesse gênante.
  [DE] Die vorliegende Erfindung betrifft Dialdimine der Formel (I), deren Emulsionen und Verwendungen. Insbesondere lassen sich daraus pastöse Härter- bzw. Beschleunigerkomponenten für Isocyanatgruppen aufweisende Polymere herstellen, die zu einer sehr hohen Frühfestigkeit führen, die ein gutes Fliessverhalten beim Pumpen aufweisen und die ohne VOC-Lösemittel, insbesondere ohne N-Alkylpyrrolidone, formuliert werden können. Diese Komponente lassen sich hervorragend homogen oder inhomogen, insbesondere auch schichtenartig, mit Komponenten, welche Isocyanatgruppen aufweisende Polyurethanpolymere enthalten, vermischen, wobei die so erhaltenen zweikomponentigen Zusammensetzungen rasch aushärten, eine ausserordentlich hohe Frühfestigkeit aufweisen und dabei ohne störende Schwachstellen bleiben.