t-Butylphenylcarbonat | 141656-93-1

• 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: t-Butylphenylcarbonat
• 英文别名: (4-Tert-butylphenyl) hydrogen carbonate
• CAS: 141656-93-1
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: RZUVLSPXCZYMIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Penem derivatives and antimicrobial agents containing the same
  申请人：SUNTORY LIMITED

  公开号：EP0774465A1

  公开（公告）日：1997-05-21

  Penem derivatives represented by the following Formula (I): wherein Z represents a hydroxyl group or a fluorine atom, R1 represents a substituted or unsubstituted alkyl, alkenyl, aralkyl group, aryl group, heterocyclic, or acyl group, or a hydrogen atom, and R2 represents a hydrogen atom or a carboxyl-protecting group; and pharmacologically acceptable salts thereof are antibacterial agents effective against, inter alia, methicillin-resistant Staphylococcus aureus. The derivatives and salts are novel except when R1 is ethyl and Z is hydroxyl. The analogous compounds in which R2 is a carboxyl-protecting group and any hydroxyl group represented by Z is protected are novel process intermediates.

  Penem衍生物由以下公式（I）表示：其中Z代表一个羟基团或氟原子，R1代表一个取代或未取代的烷基，烯基，芳基甲基，芳基，杂环基或酰基，或氢原子，R2代表一个氢原子或羧基保护基；及其药理学上可接受的盐是有效的抗菌剂，可用于治疗耐甲氧西林金黄色葡萄球菌等感染。这些衍生物和盐是新颖的，除非R1是乙基且Z是羟基。其中R2是羧基保护基且Z代表的任何羟基被保护的类似化合物是新颖的工艺中间体。
• Penem derivatives and antimicrobial agent containing the same
  申请人：Ishiguro Masaji

  公开号：US20050004092A1

  公开（公告）日：2005-01-06

  A penem derivative represented by the following formula (I): wherein R 1 represents a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted alkylthio group, a substituted or unsubstituted alkenylthio group, a substituted or unsubstituted aralkylthio group, a substituted or unsubstituted arylthio group, a substituted or unsubstituted heterocyclic group, a substituted or unsubstituted heterocyclic thio group, a substituted or unsubstituted acylthio group, a mercapto group or a hydrogen atom, and R 2 represents a hydrogen atom or a carboxyl-protecting group; or a pharmacologically acceptable salt thereof. The compound (I) exhibits strong antibacterial activities, and especially, shows strong activities against MRSA. It is therefore useful not only as a general antibacterial agent but also as an antibacterial agent for MRSA against which no general antibacterial agents are recognized to be-effective.

  以下是公式（I）所代表的一种青霉烷衍生物： 其中，R1代表取代或未取代的烷基、取代或未取代的烯基、取代或未取代的芳基烷基、取代或未取代的芳基、取代或未取代的烷基硫基、取代或未取代的烯基硫基、取代或未取代的芳基烷基硫基、取代或未取代的芳基硫基、取代或未取代的杂环基、取代或未取代的杂环硫基、取代或未取代的酰基硫基、巯基或氢原子，R2代表氢原子或羧酸保护基；或其药学上可接受的盐。该化合物（I）表现出强大的抗菌活性，特别是对MRSA表现出强大的活性。因此，它不仅有用作一般抗菌剂，还有用作抗MRSA的抗菌剂，对于这种细菌，一般的抗菌剂被认为无效。
• A composition for increasing the anti-cancer activity of an anti-cancer compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0180188A2

  公开（公告）日：1986-05-07

  A composition for increasing the anti-cancer activity of an anti-cancer compound selected from among 5-fluorouracil and a compound capable of producing 5-fluorouracil in vivo, the composition comprising an effective amount of a pyridine derivative represented by the formula wherein R1 is hydroxy or acyloxy, R2 and R4 are each hydrogen, halogen, amino, carboxyl, carbamoyl, cyano, nitro, lower alkyl, lower alkenyl or lower alkoxycarbonyl, R3 and R are each hydrogen, hydroxy or acyloxy; when at least one of R1, R3 and R5 is hydroxy, the structure of 1-position on the pyridine rina can be duetothe due to the keto-enol tautomerism, said hydrogen attached to nitrogen being optionally substituted with a substituent selected from the group consisting of lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, phthalidyl, carbamoyl, lower alkoxycarbonyl-lower alkylcarbamoyl, phenyl-lower alkoxy-lower alkyl, phenylcarbamoyl which may have a substituent on the phenyl ring, lower alkylcarbamoyl, carboxy-lower alkylcarbamoyl, lower alkylthio-lower alkyl and lower alkenyl, provided that the compound having the following formula is excluded, wherein a is hydrogen, lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, lower alkylcarbamoyl, lower alkylthio-lower alkyl or lower alkenyl.

  一种提高选自5-氟尿嘧啶和一种能在体内产生5-氟尿嘧啶的化合物的抗癌活性的组合物，该组合物包括有效量的由式表示的吡啶衍生物 其中 R1 是羟基或酰氧基，R2 和 R4 分别是氢、卤素、氨基、羧基、氨基甲酰基、氰基、硝基、低级烷基、低级烯基或低级烷氧基羰基，R3 和 R 分别是氢、羟基或酰氧基；当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是 当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是酮烯醇同分异构，所述连接到氮上的氢可选择被选自低烷基、四氢呋喃基、四氢吡喃基、低烷氧基低烷基、邻苯二甲酰基、氨基甲酰基、低烷氧基羰基低烷基氨基甲酰基组成的取代基取代、苯基-低级烷氧基-低级烷基、苯基氨基甲酰基（苯基环上可能有取代基）、低级烷基氨基甲酰基、羧基-低级烷基氨基甲酰基、低级烷硫基-低级烷基和低级烯基，但具有下式的化合物除外、 其中 a 为氢、低级烷基、四氢呋喃基、四氢呋喃基、低级烷氧基低级烷基、低级烷基氨基甲酰基、低级烷硫基低级烷基或低级烯基。
• Novel sulfonium salts and the use thereof as photoinitiators
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0331413A1

  公开（公告）日：1989-09-06

  Sulfonium and oxysulfonium salts, useful as photoinitiators, are disclosed which have directly attached to the sulfur atom thereof: at least one aromatic or heterocyclic aromatic substituent containing at least 14 aromatic atoms and having a removable positive hydrogen ion, said substituent exhibiting a higher energy occupied molecular orbital than at least one other substituent directly attached to said sulfur atom; and at least one substituent comprising an electron withdrawing group and exhibiting a lower energy unoccupied molecular orbital than at least one other substituent directly attached to said sulfur atoms; said salts being capable, upon exposure to visible radiation, of undergoing irreversible intramolecular rearrangement to form a Bronsted acid comprising the anion of said salt and said removable positive hydrogen ion.

  本发明公开了可用作光引发剂的锍盐和氧锍盐，它们的硫原子上直接连接有 至少一个芳香族或杂环芳香族取代基，包含至少 14 个芳香族原子，并具有一个可移动的正氢离子，所述取代基比直接连接到所述硫原子上的至少一个其他取代基显示出更高的能量占据分子轨道； 和至少一个取代基，该取代基包含一个电子撤回基团，并比直接连接在所述硫原子上的至少另一个取代基显示出更低的未占用分子轨道能量； 所述盐在暴露于可见辐射时，能够发生不可逆的分子内重排，形成由所述盐的阴离子和所述可移动的正氢离子组成的布郎斯特德酸。
• Novel onium salts and the use thereof as photoinitiators
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0370693A2

  公开（公告）日：1990-05-30

  Sulfonium, arsonium, ammonium and sphosphonium salts, useful as photoinitiators, comprise: a chromophore which absorbs visible radiation, the chromophore (1) having a removable positive hydrogen ion and (2) exhibiting a higher energy occupied molecular orbital than at least one other substituent attached to the S, As, N or P atom of the salt; an insulating group which links the chromophore to the S, As, N or P atom of the salt, the insulating group preventing π resonance between the chromophore and the other substituents in the salt; at least one substituent comprising an electron withdrawing group and exhibiting a lower unoccupied molecular orbital than the chromophore; and, an anion; the salts being capable, upon exposure to visible radiation, of forming a Bronsted acid.

  可用作光引发剂的锍盐、胂盐、铵盐和鏻盐包括 一种可吸收可见辐射的发色团，该发色团 (1) 具有一个可移动的正氢离子，(2) 与盐的 S、As、N 或 P 原子上连接的至少一个其他取代基相比，显示出更高的能量占据分子轨道； 将发色团与盐的 S、As、N 或 P 原子相连的绝缘基团，该绝缘基团可防止发色团与盐中其他取代基之间的 π 共振； 至少一个取代基，该取代基包含一个取电子基团，并显示出比发色团更低的未占用分子轨道；以及 阴离子； 这些盐在暴露于可见辐射时能够形成勃朗斯特酸。