3,5-二叔丁基-4-羟基苯甲醛半水物 | 207226-32-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,5-二叔丁基-4-羟基苯甲醛半水物
• 中文别名: 3,5-二叔丁基-4-羟基苯甲醛半水合物
• 英文名称: 3,5-di-tert-butyl-4-hydroxybenzaldehyde hemihydrate
• 英文别名: 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde hydrate；3,5-Di-tert-butyl-4-hydroxybenzaldehyde hydrate；3,5-di-t-butyl-4-hydroxybenzaldehyde hydrate；3,5-ditert-butyl-4-hydroxybenzaldehyde;hydrate
• CAS: 207226-32-2
• 化学式: C₁₅H₂₂O₂*H₂O
• 分子量: 252.354
• InChiKey: VJKLMLCZIFQQHX-UHFFFAOYSA-N

物化性质

• 熔点：
  187-189 °C(lit.)
• 溶解度：
  乙醇：可溶50mg/mL，透明至微混浊（黄色至橙色至浅红棕色）

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36,S37
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  3,5-二叔丁基-4-羟基苯甲醛半水物 、 2-cyano-N-(4-phenylthiazol-2-yl)acetamide 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以76%的产率得到(E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-phenylthiazol-2-yl)acrylamide
  参考文献：
  名称：

  WO2019201867A5

  摘要：

  公开号：

  WO2019201867A5

文献信息

• Organophotoreceptor with charge transport material with fluorenone azine groups
  申请人：Jubran Nusrallah

  公开号：US20050069793A1

  公开（公告）日：2005-03-31

  Improved organophotoreceptor comprises an electrically conductive substrate and a photoconductive element on the electrically conductive substrate, the photoconductive element comprising: (a) a charge transport material having the formula where n is an integer between 2 and 6, inclusive; R 1 and R 2 are, independently, H, an alkyl group, an alkaryl group, a heterocyclic group, or an aryl group; R 3 and R 4 are, independently, H, halogen, carboxyl, hydroxyl, thiol, cyano, nitro, aldehyde group, ketone group, an ether group, an ester group, a carbonyl group, an alkyl group, an alkaryl group, or an aryl group; X is a linking group having the formula —(CH 2 ) m —, branched or linear, where m is an integer between 0 and 20, inclusive, and one or more of the methylene groups can be optionally replaced by O, S, C═O, O═S═O, a heterocyclic group, an aromatic group, urethane, urea, an ester group, a NR 5 group, a CHR 6 group, or a CR 7 R 8 group where R 5 , R 6 , R 7 , and R 8 are, independently, H, an alkyl group, an alkaryl group, a heterocyclic group, or an aryl group; and Y is a bond, C, N, O, S, a branched or linear —(CH 2 ) p — group where p is an integer between 0 and 10 and where one or more of the hydrogen atoms in the —(CH 2 ) p — may be optionally removed to provide bond positions to enable n to have a higher value than 2, an aromatic group, a cycloalkyl group, a heterocyclic group, or a NR 9 group where R 9 is hydrogen atom, an alkyl group, or aryl group Y comprises a bond, C, N, O, S, a branched or linear —(CH 2 ) p — group where p is an integer between 0 and 10, an aromatic group, a cycloalkyl group, a heterocyclic group, or a NR 9 group where R 9 is hydrogen atom, an alkyl group, or aryl group, wherein Y has a structure selected to form n bonds with the corresponding X groups; and (b) a charge generating compound. Corresponding electrophotographic apparatuses and imaging methods are described.

  改进的有机光感受器包括一个具有电导性的基板和放置在该电导性基板上的光电导元件，该光电导元件包括：(a) 具有下列结构的电荷传输材料：其中n为2到6之间的整数，包括在内；R1和R2分别为H、烷基、烷基芳基、杂环基或芳基；R3和R4分别为H、卤素、羧基、羟基、硫醇基、氰基、硝基、醛基、酮基、醚基、酯基、羰基、烷基、烷基芳基或芳基；X为具有下列结构的连接基团—(CH2)m—，分支或直链，其中m为0到20之间的整数，包括在内，其中一个或多个亚甲基基团可以选择性地被O、S、C═O、O═S═O、杂环基、芳基、脲基、脲基、酯基、NR5基团、CHR6基团或CR7R8基团取代，其中R5、R6、R7和R8分别为H、烷基、烷基芳基、杂环基或芳基；Y为一个键、C、N、O、S、分支或直链的—(CH2)p—基团，其中p为0到10之间的整数，其中—(CH2)p—中的一个或多个氢原子可以选择性地移除以提供键位，以使n的值大于2，芳基、环烷基、杂环基或NR9基团，其中R9为氢原子、烷基或芳基，Y包括一个键、C、N、O、S、分支或直链的—(CH2)p—基团，其中p为0到10之间的整数，芳基、环烷基、杂环基或NR9基团，其中R9为氢原子、烷基或芳基，其中Y具有一种结构，选择性地与相应的X基团形成n个键；以及(b) 一个电荷生成化合物。描述了相应的静电复印设备和成像方法。
• 2,4,6-substituted phenol derivatives
  申请人：Shionogi & Co., Ltd.

  公开号：US05093363A1

  公开（公告）日：1992-03-03

  A 2,4,6-substituted phenol having the formula (I): ##STR1## wherein X is S or CH.sub.2 ; R.sup.1 and R.sup.2 are the same or different from each other and each is a lower alkyl group; R.sup.3 is a group of the formula: ##STR2## in which R.sup.4 is hydrogen atom or a lower alkyl group; R.sup.5 and R.sup.6 are the same or different from each other and each is hydrogen atom, a lower alkyl group, or a phenyl group which may be substituted, or a pharmaceutically acceptable salt thereof is useful as an active agent in a pharmaceutical composition. The pharmaceutical composition comprises a therapeutically effective amount of a compound having the formula (I), as an effective ingredient, in association with a pharmaceutically acceptable substantially nontoxic carrier or excipient. The pharmaceutical composition can be useful in the treatment of lipemia of mammals. Additionally the compounds can be used as antiatherosclerotic agents and antilipenic agents.

  一种具有以下式(I)的2,4,6-取代酚：##STR1## 其中X为S或CH.sub.2；R.sup.1和R.sup.2相同或不同且均为较低的烷基基团；R.sup.3为以下式的基团：##STR2## 其中R.sup.4为氢原子或较低的烷基基团；R.sup.5和R.sup.6相同或不同且均为氢原子、较低的烷基基团或可能被取代的苯基团，或其药学上可接受的盐在制药组合物中作为有效成分是有用的。所述制药组合物包括具有式(I)的化合物的治疗有效量作为有效成分，与药学上可接受的基本无毒载体或赋形剂相关联。所述制药组合物可用于治疗哺乳动物的脂质血症。此外，这些化合物可用作抗动脉粥样硬化药物和抗脂肪药物。
• (1,2,3-Triazolyl)sulfonyl Derivatives
  申请人：Maehr Hubert

  公开号：US20130267568A1

  公开（公告）日：2013-10-10

  The invention relates to a compound of the formula wherein the substituents are as defined herein, and pharmaceutically acceptable salts of the compound of formula (1). The compounds of formula (1), and their salts, possess inflammation inhibiting properties and are therefore useful in the treatment and prevention of conditions related to inflammations, such as inflammatory joint diseases, or other diseases caused by chronic inflammation. This application relates to compounds of formula (1), methods for their preparation, pharmaceutical compositions comprising these compounds and their use for the preparation of medicaments for the treatment of humans and animals.

  该发明涉及一种化合物，其化学式如下，其中取代基如本文所定义，并且化合物的药学上可接受的盐。化合物的化学式（1）及其盐具有抗炎性能，因此在治疗和预防与炎症有关的疾病，如炎症性关节疾病或其他由慢性炎症引起的疾病方面非常有用。本申请涉及化学式（1）的化合物，其制备方法，包含这些化合物的药物组合物以及它们用于制备用于治疗人类和动物的药物的用途。
• Inotilone derivatives as coherent biological response modifier (cBMR)
  申请人：Majeed Muhammed

  公开号：US20110054018A1

  公开（公告）日：2011-03-03

  Optimal compositions of derivatives of 5-methyl-3(2H)-furanone compounds and phenylpropanoid polyketides related to inotilone, that exert biological response modification in health and disease, and their method of preparation, are disclosed. Methods of treating degenerative conditions stemming from over-expression of inducible nitric oxide synthase (iNOS) using these compositions are also disclosed.

  揭示了与伊诺酮相关的5-甲基-3(2H)-呋喃酮类化合物和苯丙酮聚酮的最佳衍生物组合，这些化合物在健康和疾病中发挥生物反应调节作用，以及它们的制备方法。还揭示了使用这些组合物治疗由诱导型一氧化氮合酶(iNOS)过度表达引起的退行性疾病的方法。
• 2,4,6-Substituted phenol derivatives
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0414206A2

  公开（公告）日：1991-02-27

  A 2,4,6-substituted phenol having the formula wherein X is S or CH₂; R¹ and R² are the same or different from each other and each is a lower alkyl group; R³ is a group of the formula: in which R⁴ is hydrogen atom or a lower alkyl group; R⁵ and R⁶ are the same or different from each other and each is hydrogen atom, a lower alkyl group, or a phenyl group which may be substituted, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition comprising a therapeutically effective amount of a compound having the formula (I), as an effective ingredient, in association with a pharmaceutically acceptable substantially nontoxic carrier or excipient and a pharmaceutical composition for use in the treatment of lipemia of mammals comprising a therapeutically effective amount of at least one compound having the formula (I). According to the present invention there can be provided useful antiatherosclerotic agents and antilipenic agents.

  一种 2，4，6-取代的苯酚，其式如下 其中 X 是 S 或 CH₂；R¹ 和 R² 彼此相同或不同，并且各自是低级烷基；R³ 是式中的一个基团： 其中 R⁴ 是氢原子或低级烷基；R⁵ 和 R⁶ 彼此相同或不同，各自是氢原子、低级烷基或可被取代的苯基、 或其药学上可接受的盐；一种药物组合物，包含治疗有效量的式 (I) 化合物，作为有效成分，与药学上可接受的基本上无毒的载体或赋形剂一起使用；一种用于治疗哺乳动物脂血症的药物组合物，包含治疗有效量的至少一种式 (I) 化合物。根据本发明，可以提供有用的抗动脉粥样硬化制剂和抗脂血症制剂。