4-methylcyclohexane-1,1-diacetic acid | 85179-91-5

• 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: 4-methylcyclohexane-1,1-diacetic acid
• 英文别名: (4-methyl-cyclohexylidene)-di-acetic acid；(4-Methyl-cyclohexyliden)-di-essigsaeure；4-Methyl-cyclohexan-diessigsaeure-(1.1)；4-Methyl-1,1-cyclohexanediacetic acid；2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid
• CAS: 85179-91-5
• 化学式: C₁₁H₁₈O₄
• 分子量: 214.262
• InChiKey: OUPWULBQQGPQFX-UHFFFAOYSA-N

物化性质

• 熔点：
  158 °C
• 沸点：
  404.4±18.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917209090

反应信息

• 作为反应物：
  描述：

  4-methylcyclohexane-1,1-diacetic acid 在 barium dihydroxide 、 铁粉 作用下， 生成 1-甲基-4-亚甲基环己烷
  参考文献：
  名称：

  250.物理性质和化学组成。第三部分 环戊烷，环己烷，环庚烷，以及一些衍生物。甲基环己烷环的多平面结构

  摘要：

  DOI：

  10.1039/jr9380001323
• 作为产物：
  描述：

  4-甲基环己酮 在 盐酸 、 硫酸 、 氨 、 水 作用下， 反应 24.0h， 生成 4-methylcyclohexane-1,1-diacetic acid
  参考文献：
  名称：

  评价各种N-取代的氮杂螺环二酮衍生物作为潜在的抗菌剂

  摘要：

  将一系列的N-取代的肼与各种螺[4.5]和[5.5]酸酐缩合，并评估所得的N-取代的氮杂氮杂双阴离子的抗菌活性。在测试的各种生物中，没有一个显示出明显的活性。

  DOI：

  10.1002/jps.2600720222

文献信息

• Modified colorants with aliphatic poly-acid groups
  申请人：Palumbo Paul S.

  公开号：US20080083347A1

  公开（公告）日：2008-04-10

  Modified colorants which can be pigments or dyes are described wherein the colorant has attached at least one aliphatic poly-acid group. Ink and inkjet ink compositions, formulations, and systems are further described, as well as methods of generating a printed image.

  本文描述了改性色料，其可以是颜料或染料，并且该色料至少连接了一个脂肪族聚酸基团。此外，还描述了墨水和喷墨墨水组合物、配方和系统，以及生成印刷图像的方法。
• HEAT CARRIER COMPOSITION
  申请人：Shishiai-Kabushikigaisha

  公开号：EP1829949A1

  公开（公告）日：2007-09-05

  The present invention provides a pH stabilizing heat transfer medium composition comprising a main component of water, glycol, alcohol or glycol ether, and a pH buffer agent. The pH buffer agent is comprised of an alicyclic compound where a single ring-constituting carbon atom is bonded to two identical members or two different members selected from the group consisting of carboxymethyl and its salts, or where at least two ring-constituting neighboring carbon atoms are each bonded to a single member selected from the group consisting of carboxymethyl and its salts.

  本发明提供了一种 pH 值稳定传热介质组合物，其主要成分包括水、乙二醇、醇或乙二醇醚以及 pH 值缓冲剂。pH 缓冲剂由脂环族化合物组成，其中单个构环碳原子与两个相同的成员或两个不同的成员键合，这些成员选自羧甲基及其盐组成的组，或者至少两个构环相邻碳原子分别与单个成员键合，这些成员选自羧甲基及其盐组成的组。
• Kandiah; Linstead, Journal of the Chemical Society, 1929, p. 2148
  作者：Kandiah、Linstead

  DOI：——

  日期：——
• Thorpe; Wood, Journal of the Chemical Society, 1913, vol. 103, p. 1575
  作者：Thorpe、Wood

  DOI：——

  日期：——
• Antiarthritic and supressor cell inducing activity of azaspiranes: structure-function relationships of a novel class of immunomodulatory agents
  作者：Alison M. Badger、David A. Schwartz、Donald H. Picker、James W. Dorman、Fontaine C. Bradley、Elaine N. Cheeseman、Michael J. DiMartino、Nabil Hanna、Christopher K. Mirabelli

  DOI：10.1021/jm00173a010

  日期：1990.11

  Spirogermanium (1; 8,8-diethyl-N,N-dimethyl-2-aza-8- germaspiro[4.5]decane-2-propanamine dihydrochloride) is a potent cytotoxic agent in vitro which has demonstrated limited activity in experimental animal tumor models. Subsequently, it has been reported that spirogermanium has antiarthritic and suppressor cell-inducing activity. We have synthesized a series of substituted 8-hetero-2-azaspiro[4.5]decane and 9-hetero-3-azaspiro[5.5]undecane analogues of spirogermanium to identify the heteroatom requirements for in vivo antiarthritic and suppressor cell-inducing activity. This structure-activity relationship study has identified that appropriately substituted silicon and carbon analogues of spirogermanium retain both antiarthritic and immunosuppressive activity, with the 8,8-dipropyl (carbon) analogue being among the most active. Following the identification of N,N-dimethyl-8,8-dipropyl-2-azaspiro[4.5]decane-2-propanamine++ + dihydrochloride (9) as a more active analogue than spirogermanium, a series of 8,8-dipropyl analogues with various amine substituents were synthesized. A number of these analogues had activity similar to that of 9. A correlation between activity in the adjuvant arthritic rat and the ability to induce suppressor cells (r = 0.894, p less than 0.001) suggests an association between the two pharmacologic effects. While the precise biochemical mechanism(s) for the pharmacological activity is unclear, these data suggest that compounds within this series, e.g., N,N-dimethyl-8,8-dipropyl-2-azaspiro[4.5]decane-2-propanamine++ + dihydrochloride, may provide effective therapy in diseases of autoimmune origin and/or the prevention of rejection in tissue transplantation.