(2,5-dimethoxy-3,4,6-trimethylphenyl)methanol | 117574-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,5-dimethoxy-3,4,6-trimethylphenyl)methanol
• 英文别名: 2,5-dimethoxy-3,4,6-trimethyl-benzyl alcohol；3.6-Dimethoxy-2.4.5-trimethyl-1-hydroxymethyl-benzol；2,5-Dimethoxy-3,4,6-trimethyl-benzylalkohol；2,5-dimethoxy-3,4,6-trimethylbenzylalcohol
• CAS: 117574-74-0
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: XQCGKSRFUNJKJW-UHFFFAOYSA-N

物化性质

• 熔点：
  120-121 °C
• 沸点：
  333.8±37.0 °C(Predicted)
• 密度：
  1.050±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：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,5-dimethoxy-3,4,6-trimethylphenyl)methanol 在 氯化亚砜 、 lithium 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 29.0h， 生成 1,4-dimethoxy-2-methoxymethyl-3,5,6-trimethylbenzene
  参考文献：
  名称：

  Diels-Alder Trapping of ortho-Quinone Methides. A New Entry to Substituted Xanthene-1,4-diones

  摘要：

  DOI：

  10.1055/s-1998-2116
• 作为产物：
  描述：

  三甲基氢醌 在 sodium tetrahydroborate 、 potassium carbonate 、 三氟乙酸 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 (2,5-dimethoxy-3,4,6-trimethylphenyl)methanol
  参考文献：
  名称：

  四取代的1,4-苯醌的S RN 1反应

  摘要：

  通过S RN 1机理显示2-氯甲基-3,5,6-三甲基-1,4-苯醌的2-氯甲基-C-烷基化反应是通过S RN 1机理进行的。该机理被双氧，对二硝基苯，氯化铜和二叔丁基硝基氧的抑制作用所证实。首次发现由双氧诱导的硝基和亚硝酸盐衍生物的形成。

  DOI：

  10.1016/s0040-4039(00)79881-9

文献信息

• Certain benzoquinones, naphthoquinones, corresponding hydroquinones
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04851413A1

  公开（公告）日：1989-07-25

  Quinone derivatives represented by the general formula ##STR1## (wherein, R.sup.1 and R.sup.2, the same or different, refer to a hydrogen atom, methyl or methoxymethyl group, or R.sup.1 and R.sup.2 bind together to form --CH.dbd.CH--CH.dbd.CH--; R.sup.3 is a hydrogen atom or methyl group; R.sup.4 is a nitrogen-containing heterocyclic group which may be substituted; R.sup.5 is a hydrogen atom, methyl group, hydroxymethyl group which may be substituted, or a carboxyl group which may be esterified or amidated; Z is ##STR2## (wherein, R' is hydrogen atom or methyl group); n is an integer from 0 through 12, m is an integer from 0 through 3, and k is an integer from 0 through 7, providing that, when m is 2 or 3, Z and k are able to vary appropriately in the repeating unit shown in [ ]), and the hydroquinone derivatives thereof, are novel compounds, possess improvement effects of metabolism of polyunsaturated fatty acids, particularly two or more of inhibition of production of fatty acid peroxides, inhibition of production of metabolites in 5-lipoxygenase pathway, inhibition of thromboxane A.sub.2 synthetase, thromboxane A.sub.2 receptor antagonism and scavenging action of active oxygen species, and of use as drugs, such as antithrombotics, anti-vascular constriction agents, anti-asthma agent, antiallergic agents, therapeutics for psoriasis, agents for improvement in heart, brain and cardiovascular systems, therapeutics for nephritis, active oxygen-eliminating agents, anticancer agents, agents for improvement of control of arachidonate cascade products, etc.

  喹醌衍生物由通式表示##STR1##（其中，R.sup.1和R.sup.2，相同或不同，指氢原子，甲基或甲氧基甲基基团，或R.sup.1和R.sup.2结合在一起形成--CH.dbd.CH--CH.dbd.CH--; R.sup.3是氢原子或甲基; R.sup.4是氮含杂环基团，可能被取代; R.sup.5是氢原子，甲基，可能被取代的羟甲基基团，或者酯化或酰胺化的羧基; Z是##STR2##（其中，R'是氢原子或甲基）; n是0到12之间的整数，m是0到3之间的整数，k是0到7之间的整数，假设当m为2或3时，Z和k能够适当变化在[ ]中显示的重复单元中），以及其对氢醌衍生物，是新颖的化合物，具有改善多不饱和脂肪酸代谢的效果，特别是抑制脂肪酸过氧化物的产生，抑制5-脂氧合酶途径代谢产物的产生，抑制血栓素A.sub.2合成酶，血栓素A.sub.2受体拮抗作用和活性氧物质的清除作用，以及作为药物的用途，如抗血栓药、抗血管收缩剂、抗哮喘药、抗过敏药、治疗银屑病、改善心脏、脑和心血管系统的药物、治疗肾炎、活性氧清除剂、抗癌药、改善阿拉基酸级联产物控制的药物等。
• Certain benzoquinones, naphthoquinones and derivatives thereof which
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04985447A1

  公开（公告）日：1991-01-15

  Quinone derivatives represented by the general formula ##STR1## (wherein, R.sup.1 and R.sup.2, the same or different, refer to hydrogen atom, methyl or methoxymethyl group, or R.sup.1 and R.sup.2 bind together to form --CH.dbd.CH--CH.dbd.CH--; R.sup.3 is hydrogen atom or methyl group; R.sup.4 is nitrogen-containing heterocyclic group which may be substituted; R.sup.5 is hydrogen atom, methyl group, hydroxymethyl group which may be substituted, or carboxyl group which may be esterified or amidated; Z is ##STR2## --CH.dbd.CH--, ##STR3## or ##STR4## (wherein, R' is hydrogen atom or methyl group); n is an integer from 0 through 12, m is an integer from 0 through 3, and k is an integer from 0 through 7, providing that, when m is 2 or 3, Z and k are able to vary appropriately in the repeating unit shown in [ ]), and the hydroquinone derivatives thereof, are novel compounds, possess improvement effects of metabolism of poly unsaturated fatty acids, particularly two or more inhibitition of production of fatty acid peroxides, inhibition of production of metabolites in 5-lipoxygenase pathway, inhibition of thromboxane A.sub.2 synthetase, thromboxane A.sub.2 receptor antagonism and scavenging action of active oxygen species, and of use as drugs, such as antithrombotics, anti-vascular constriction agents, anti-asthma agent, antiallergic agents, therpeutics for psoriasis, agents for improvement in heart, brain and cardiovascular systems, therapeutics for nephritis, active oxygen-eliminating agents, anticancer agents, agents for improvement of control of arachidonate cascade products, etc.

  通式为##STR1##的醌衍生物（其中，R.sup.1和R.sup.2，相同或不同，指氢原子，甲基或甲氧甲基基团，或R.sup.1和R.sup.2结合形成--CH.dbd.CH--CH.dbd.CH--; R.sup.3是氢原子或甲基基团; R.sup.4是可能被取代的含氮杂环基团; R.sup.5是氢原子，甲基基团，可能被取代的羟甲基基团，或可酯化或酰胺化的羧基; Z是##STR2## --CH.dbd.CH--, ##STR3## 或 ##STR4##（其中，R'是氢原子或甲基基团）; n是0到12的整数，m是0到3的整数，k是0到7的整数，但当m为2或3时，Z和k能够在[ ]中所示的重复单位中适当变化），以及其羟醌衍生物，是新颖的化合物，具有改善多不饱和脂肪酸代谢的效果，特别是抑制脂肪酸过氧化物的产生，抑制5-脂氧合酶途径代谢物的产生，抑制血栓素A.sub.2合酶，血栓素A.sub.2受体拮抗作用和活性氧自由基清除作用，并可用作药物，如抗血栓剂，抗血管收缩剂，抗哮喘剂，抗过敏剂，治疗银屑病的药物，改善心脏，脑和心血管系统的药物，治疗肾炎的药物，活性氧清除剂，抗癌剂，改善花生四烯酸级联产物控制的药物等。
• Riering, Helmut; Schaefer, Hans J., Chemische Berichte, 1994, vol. 127, # 5, p. 859 - 874
  作者：Riering, Helmut、Schaefer, Hans J.

  DOI：——

  日期：——
• Smith et al., Journal of Organic Chemistry, 1939, vol. 4, p. 340
  作者：Smith et al.

  DOI：——

  日期：——
• Quinone derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0234729B1

  公开（公告）日：1991-12-27