ethyl 2-oxocyclohexanecarboxilate | 42049-07-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-oxocyclohexanecarboxilate
• 英文别名: α-Propionyloxy-cyclohexanon；2-Propionyloxy-cyclohexanon；(2-Oxocyclohexyl) propanoate
• CAS: 42049-07-0
• 化学式: C₉H₁₄O₃
• mdl: MFCD24388008
• 分子量: 170.208
• InChiKey: MFAMVWLLNAQSHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-oxocyclohexanecarboxilate 在 三氯氧磷 作用下， 以 二苯醚 、 戊醇 为溶剂， 反应 19.17h， 生成 N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1,2,3,4-tetrahydroacridin-9-amine
  参考文献：
  名称：

  Specific Targeting of Acetylcholinesterase and Butyrylcholinesterase Recognition Sites. Rational Design of Novel, Selective, and Highly Potent Cholinesterase Inhibitors

  摘要：

  Tacrine-based AChE and BuChE inhibitors were designed by investigating the topology of the active site gorge of the two enzymes. The homobivalent ligands characterized by a nitrogen-bridged atom at the tether level could be considered among the most potent and selective cholinesterase inhibitors described to date. The nitrogen-containing homobivalent ligands 3e,g and the sulfur-containing 3h validated the hypothesis of extra sites of interaction in the AChE and BuChE active site gorges.

  DOI：

  10.1021/jm0255668
• 作为产物：
  描述：

  2-溴环己酮 、 sodium proprionate 以 溶剂黄146 为溶剂， 生成 ethyl 2-oxocyclohexanecarboxilate
  参考文献：
  名称：

  Thermal Rearrangement of Enol Ester Epoxides. II. The Intramolecularity of the Rearrangement¹

  摘要：

  DOI：

  10.1021/jo01055a005

文献信息

• Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE)
  申请人：——

  公开号：US20030130273A1

  公开（公告）日：2003-07-10

  The present application describes novel hydantoin derivatives of formula (I): 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 11 , and n are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase, or a combination thereof.

  本申请描述了具有以下式(I)的新型咪唑啉衍生物：1或其药用可接受的盐或前药形式，其中A、B、R1、R2、R3、R4、R5、R6、R7、R11和n在本说明书中有定义，这些衍生物可用作基质金属蛋白酶（MMP）、TNF-α转化酶（TACE）、聚集素酶的抑制剂，或其组合。
• PROCESS FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ACID ESTER, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND LENS
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20180186733A1

  公开（公告）日：2018-07-05

  A process for producing a pentaerythritol mercaptocarboxylic acid ester of the present invention includes: a step of reacting pentaerythritol with a mercaptocarboxylic acid, in which an absorbance of a 5 wt % aqueous solution of the pentaerythritol at a wavelength of 270 nm, which is measured using a quartz cell having an optical path length of 50 mm, is 0.07 or less.

  本发明的一种生产对羟基羧基巯基脂肪酸酯的工艺包括：将对羟基羧基巯基脂肪酸与对羟基羧基醇反应的步骤，其中在使用光路长度为50毫米的石英池测量的270纳米波长处，对5重量%的对羟基羧基醇水溶液的吸光度为0.07或更低。
• [EN] HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES<br/>[FR] DERIVES D'HYDANTOINE UTILISES COMME INHIBITEURS DES METALLOPROTEINASES MATRICIELLES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002096426A1

  公开（公告）日：2002-12-05

  The present application describes novel hydantoin derivatives of formula (I), or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, R?1, R2, R3, R4, R5, R6, R7, R11¿, and n are defined in the present specification, which are useful as inhibitors of matrix metallproteinases (MMP), TNF-α converting enzyme (TACE), aggrecanase, or a combination thereof.

  本申请描述了式（I）的新型脲嘧啶衍生物，或其药学上可接受的盐或前药形式，其中A，B，R？1，R2，R3，R4，R5，R6，R7，R11¿和n在本说明书中有定义，它们可用作基质金属蛋白酶（MMP），TNF-α转化酶（TACE），聚集素酶或其组合的抑制剂。
• Use of sulfur-containing acid phosphoric ester as internal release agent
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0553801A1

  公开（公告）日：1993-08-04

  An internal release agent comprises a sulfur-containing acid phosphoric esters selected from the group consisting of thiophosphoric acid esters and dithiophosphoric acid esters of the formula, where X and Y are independently selected from the group consisting of an oxygen atom and a sulfur atom, at least one of X and Y is a sulfur atom, and R₁ and R₂ are independently alkyl groups.

  内脱模剂包括从硫代磷酸酯和二硫代磷酸酯组成的组中选出的含硫酸性磷酸酯，其式为 其中，X 和 Y 独立地选自由氧原子和硫原子组成的组，X 和 Y 中至少有一个是硫原子，R₁ 和 R₂ 独立地为烷基。
• THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2253626A1

  公开（公告）日：2010-11-24

  A thietane compound represented by the following formula (30) : in formula (30), A represents an OH group or an SH group.

  由下式（30）代表的硫杂环丁烷化合物： 式（30）中，A 代表 OH 基团或 SH 基团。