1-(2-methanesulfonyloxyethyl)-2-trifluoromethylbenzene | 98440-42-7

• 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: 1-(2-methanesulfonyloxyethyl)-2-trifluoromethylbenzene
• 英文别名: 2-(trifluoromethyl)phenethyl methanesulfonate；2-(2-trifluoromethylphenyl)ethyl methanesulfonate；2-[2-(trifluoromethyl)phenyl]ethyl methanesulfonate
• CAS: 98440-42-7
• 化学式: C₁₀H₁₁F₃O₃S
• 分子量: 268.257
• InChiKey: UGDQVHGVCKJDSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-methanesulfonyloxyethyl)-2-trifluoromethylbenzene 在 盐酸 、 1-羟基苯并三唑 、 溶剂黄146 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 53.0h， 生成 2-amino-N-ethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
  参考文献：
  名称：

  Peripherally acting enkephalin analogs. 2. Polar tri- and tetrapeptides

  摘要：

  The design, synthesis, and biological activity of a series of D-Arg2-enkephalin-derived tetrapeptide amides and tripeptide aralkylamides are reported. These polar analogues were designed to be excluded from the central nervous system with their action thus limited to peripheral opioid receptors. The effects of the nature of the aromatic ring, aryl ring substitution, and aralkylamine chain length on activity were investigated; in a number of cases the N-terminal amino group of Tyr1 was converted to a guanidino group to further increase hydrophilicity. The peptides were all synthesized by classical solution methodology. The opioid activity of the peptides was assessed in vitro on the guinea pig ileum and their antinociceptive activity was determined in vivo in chemically induced writhing models (peripheral activity) and in the hot-plate test (central activity), in rodents. That the analgesic effects were predominantly mediated in the periphery was demonstrated by antagonism of antinociception by the peripheral opioid antagonist N-methylnalorphine and by comparison of the activities in the writhing and hot-plate tests. As a class, the tetrapeptides were more potent than the tripeptides; N alpha-amidination generally increased activity. A number of compounds exhibited very potent opioid activity and had the desired pharmacological profile, indicating a high degree of peripheral selectivity.

  DOI：

  10.1021/jm00125a028
• 作为产物：
  描述：

  甲基磺酰氯 、 2-(三氟甲基)苯乙醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(2-methanesulfonyloxyethyl)-2-trifluoromethylbenzene
  参考文献：
  名称：

  Peripherally acting enkephalin analogs. 2. Polar tri- and tetrapeptides

  摘要：

  The design, synthesis, and biological activity of a series of D-Arg2-enkephalin-derived tetrapeptide amides and tripeptide aralkylamides are reported. These polar analogues were designed to be excluded from the central nervous system with their action thus limited to peripheral opioid receptors. The effects of the nature of the aromatic ring, aryl ring substitution, and aralkylamine chain length on activity were investigated; in a number of cases the N-terminal amino group of Tyr1 was converted to a guanidino group to further increase hydrophilicity. The peptides were all synthesized by classical solution methodology. The opioid activity of the peptides was assessed in vitro on the guinea pig ileum and their antinociceptive activity was determined in vivo in chemically induced writhing models (peripheral activity) and in the hot-plate test (central activity), in rodents. That the analgesic effects were predominantly mediated in the periphery was demonstrated by antagonism of antinociception by the peripheral opioid antagonist N-methylnalorphine and by comparison of the activities in the writhing and hot-plate tests. As a class, the tetrapeptides were more potent than the tripeptides; N alpha-amidination generally increased activity. A number of compounds exhibited very potent opioid activity and had the desired pharmacological profile, indicating a high degree of peripheral selectivity.

  DOI：

  10.1021/jm00125a028

文献信息

• 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04681879A1

  公开（公告）日：1987-07-21

  There are described novel 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines of the general formula ##STR1## where m and n are each independently 0, 1 or 2 and m+n is 1 or 2, X and Y are each independently hydrogen, loweralkyl or halogen, and R is hydrogen, cyano, --C(NH.sub.2)NOH, ##STR2## unsubstituted loweralkyl, or substituted loweralkyl having one to three substituents each of which being independently cyano, hydroxy, cycloalkyl of 3-6 carbon atoms, furyl, thienyl, ##STR3## k being 1, 2 or 3, W being each indepentently hydrogen, halogen, hydroxy, loweralkyl, trifluoromethyl, loweralkoxy, nitro, amino, diloweralkylamino, phenoxy, or benzyloxy, and Z being hydrogen, loweralkyl or halogen, which are useful as antipsychotic and analgesic agents; novel intermediate compounds therefor; and methods of synthesizing the foregoing compounds.

  描述了一种新型的11-取代的5H,11H-吡咯并[2,1-c][1,4]苯并氧杂环庚烯，其一般公式为##STR1##其中m和n分别独立取0、1或2，m+n为1或2，X和Y分别独立取氢、较低的烷基或卤素，R为氢、氰基、--C(NH.sub.2)NOH、##STR2##未取代的较低烷基，或取代的较低烷基，取代基有1到3个，每个取代基独立取氰基、羟基、3-6碳原子的环烷基、呋喃基、噻吩基、##STR3##其中k为1、2或3，W分别独立取氢、卤素、羟基、较低烷基、三氟甲基、较低烷氧基、硝基、氨基、双较低烷基氨基、苯氧基或苄氧基，Z为氢、较低烷基或卤素，这些化合物可用作抗精神病和镇痛药物；其新的中间体化合物；以及合成上述化合物的方法。
• PIPERIDINE COMPOUND AND PEST-CONTROL USE THEREFORE
  申请人：Sumitomo Chemical Company Limited

  公开号：EP2845851A1

  公开（公告）日：2015-03-11

  A piperidine compound represented by the following Formula (1): wherein ring A, ring B, and ring C are the same or differen t and each represent a benzene ring or a nitrogen-containing heteroaromatic ring; W represents a C1-C4 alkylene or alkenylene group; X, Y, and Z are the same o r different and each represent a halogen atom, a C1-C6 alkyl group, a halo C1-C6 alkyl group, a C1-C6 alkoxy group, or a halo C1-C6 alkoxy group; m, n, and p are the same or different and each represent an integer of 0 to 5; when m is greater than or equal two 2, the Xs are t he same or different; when n is greater than or equal to 2, the Ys are the same or different; and when p is greater th an or equal to 2, the Zs are the same or different has an excellent controlling efficacy against pests.

  由以下式（1）表示的一种哌啶化合物：其中环A、环B和环C相同或不同，每个代表苯环或含氮杂环；W代表C1-C4烷基或烯基基团；X、Y和Z相同或不同，每个代表卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或卤代C1-C6烷氧基；m、n和p相同或不同，每个代表0到5的整数；当m大于或等于2时，X相同或不同；当n大于或等于2时，Y相同或不同；当p大于或等于2时，Z相同或不同，对害虫具有出色的控制效果。
• 3-<1-alkylenearyl>-4-<1,2,3,6-tetrahydropyridinyl>-and
  申请人：Eli Lilly and Company

  公开号：US05521197A1

  公开（公告）日：1996-05-28

  This invention provides novel 5-HT.sub.1F agonists which are useful for the treatment of migraine and associated disorders having the following formula: ##STR1## wherein A, B, X, Y, Ar and n are defined in the specification.

  这项发明提供了一种新型的5-HT.sub.1F激动剂，可用于治疗偏头痛和相关疾病，其化学结构如下：##STR1##其中A、B、X、Y、Ar和n在说明书中有定义。
• 2-PHENYLNICOTINIC ACID DERIVATIVE
  申请人：Menjo Nobuo

  公开号：US20100004459A1

  公开（公告）日：2010-01-07

  The present invention is to provide the compounds useful as a treating or preventing agent for gout and hyperuricemia which are 2-phenylnicotinic acid derivatives having a uric acid lowering action due to an excellent xanthine oxidase inhibitory action. Since the 2-phenylnicotinic acid derivatives of the present invention exhibit a uric acid lowering action due to an excellent xanthine oxidase inhibitory action and also hypolipemic action, their utility is very high as a treating or preventive agent for gout and hyperuricemia which are often accompanied by hyperlipemia as a complication.

  本发明提供了一种化合物，它是2-苯基烟酸衍生物，具有出色的黄嘌呤氧化酶抑制作用，可用作痛风和高尿酸血症的治疗或预防剂。由于本发明的2-苯基烟酸衍生物表现出出色的黄嘌呤氧化酶抑制作用和降脂作用，因此它们作为治疗或预防痛风和高尿酸血症的药物，其实用价值非常高，因为这些疾病通常伴随着高脂血症的并发症。
• PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150126516A1

  公开（公告）日：2015-05-07

  A piperidine compound represented by the following Formula (1): wherein ring A, ring B, and ring C are the same or different and each represent a benzene ring or a nitrogen-containing heteroaromatic ring; W represents a C1-C4 alkylene or alkenylene group; X, Y, and Z are the same or different and each represent a halogen atom, a C1-C6 alkyl group, a halo C1-C6 alkyl group, a C1-C6 alkoxy group, or a halo C1-C6 alkoxy group; m, n, and p are the same or different and each represent an integer of 0 to 5; when m is greater than or equal to 2, the Xs are the same or different; when n is greater than or equal to 2, the Ys are the same or different; and when p is greater than or equal to 2, the Zs are the same or different has an excellent controlling efficacy against pests.

  以下为翻译结果： 一种哌啶化合物，其化学式如下（1）所示：其中，环A、环B和环C相同或不同，每个代表苯环或含氮杂环；W代表C1-C4烷基或烯基基团；X、Y和Z相同或不同，每个代表卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或卤代C1-C6烷氧基；m、n和p相同或不同，每个代表0至5的整数；当m大于或等于2时，X相同或不同；当n大于或等于2时，Y相同或不同；当p大于或等于2时，Z相同或不同。该化合物对害虫有良好的控制效果。