3-甲基-4-溴苯乙醚 | 68155-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-甲基-4-溴苯乙醚
• 中文别名: 2-溴-5-乙氧基甲苯；3-甲基-4-溴苯
• 英文名称: 1-bromo-4-ethoxy-2-methylbenzene
• CAS: 68155-69-1
• 化学式: C₉H₁₁BrO
• 分子量: 215.09
• InChiKey: YDVQAAWPYJCMHH-UHFFFAOYSA-N

物化性质

• 沸点：
  129℃ (10 Torr)
• 密度：
  1.324±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  111.2±7.8℃

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-甲基-4-溴苯乙醚 在 tris-(dibenzylideneacetone)dipalladium(0) 、 盐酸羟胺 、 N,N-二异丙基乙胺 、 sodium t-butanolate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 5.33h， 生成 (S,E)-4-(4-ethoxy-2-methylphenyl)-N'-hydroxy-2-methylpiperazine-1-carboximidamide
  参考文献：
  名称：

  Piperazine Oxadiazole Inhibitors of Acetyl-CoA Carboxylase

  摘要：

  Acetyl-CoA carboxylase (ACC) is a target of interest for the treatment of metabolic syndrome. Starting from a biphenyloxadiazole screening hit, a series of piperazine oxadiazole ACC inhibitors was developed. Initial pharmacokinetic liabilities of the piperazine oxadiazoles were overcome by blocking predicted sites of metabolism, resulting in compounds with suitable properties for further in vivo studies. Compound 26 was shown to inhibit malonyl-CoA production in an in vivo pharmacodynamic assay and was advanced to a long-term efficacy study. Prolonged dosing with compound 26 resulted in impaired glucose tolerance in diet-induced obese (DIO) CS7BL6 mice, an unexpected finding.

  DOI：

  10.1021/jm401601s
• 作为产物：
  描述：

  1-乙氧基-3-甲基苯 在 manganese(II) bromide 、 potassium permanganate 作用下， 以 溶剂黄146 为溶剂， 生成 3-甲基-4-溴苯乙醚
  参考文献：
  名称：

  Manganic oxidations of 3-substituted toluenes

  摘要：

  DOI：

  10.1021/jo00335a048

文献信息

• [EN] NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRROLIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'ACÉTYL-COA CARBOXYLASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014056771A1

  公开（公告）日：2014-04-17

  The invention relates to new pyrrolidine derivatives of the formula (I) to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式（I）的新吡咯烷衍生物，其用作药物，用于它们的治疗使用的方法以及含有它们的药物组合物。
• Aminobenzophenones as inhibitors of il 1b and tnf
  申请人：——

  公开号：US20030013770A1

  公开（公告）日：2003-01-16

  A compound of the general formula I 1 wherein R 1 represents a substituent selected from the group consisting of halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 2 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 3 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, cyano, carboxy, carbamoyl, (C 1 -C 10 )alkyl, (C 2 -C 10 )olefinic group, (C 3 -C 8 )monocyclic hydrocarbon group, (C 1 -C 10 )alkoxy, (C 1 -C 10 )alkylthio, (C 1 -C 10 )alkoxycarbonyl, and phenyl; R 4 represents hydrogen, (C 1 -C 6 )alkyl, (C 2 -C 6 )olefinic group, or (C 3 -C 6 )monocyclic hydrocarbon group; R 5 represents one or more, same or different substituents selected from the group consisting of hydrogen and R 1 ; X represents oxygen, sulphur, or N—OH; and salts thereof with pharmaceutically acceptable acids, hydrates and solvates, may be used in the prophylaxis or treatment of inflammatory diseases.

  一种通式为I1的化合物，其中R1代表从卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的取代基；R2代表从氢、卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的一个或多个相同或不同的取代基；R3代表从氢、卤素、羟基、巯基、三氟甲基、氰基、羧基、氨基、(C1-C10)烷基、(C2-C10)烯基、(C3-C8)单环碳氢基团、(C1-C10)烷氧基、(C1-C10)烷硫基、(C1-C10)烷氧羰基和苯基中选择的一个或多个相同或不同的取代基；R4代表氢、(C1-C6)烷基、(C2-C6)烯基或(C3-C6)单环碳氢基团；R5代表从氢和R1中选择的一个或多个相同或不同的取代基；X代表氧、硫或N-OH；以及其与药学上可接受的酸盐、水合物和溶剂化合物，可用于预防或治疗炎症性疾病。
• 1-Thio-D-Glucitol Derivatives
  申请人：Kakinuma Hiroyuki

  公开号：US20080132563A1

  公开（公告）日：2008-06-05

  The present invention provides a 1-thio-D-glucitol compound of the following formula, which shows the action of inhibiting the activity of SGLT2, a pharmaceutically acceptable salt of the compound, or a hydrate of the compound or the salt; and a pharmaceutical comprising such a compound as an active ingredient, especially, a pharmaceutical for preventing or treating diabetes, diabetes-related disease, or diabetic complication. The invention also provides a method for producing the 1-thio-D-glucitol compound and its intermediate.

  本发明提供了以下公式的1-硫代-D-葡萄糖醇化合物，该化合物显示抑制SGLT2活性的作用，该化合物的药用可接受盐或该化合物或盐的水合物；以及包含该化合物作为活性成分的制药品，特别是用于预防或治疗糖尿病、糖尿病相关疾病或糖尿病并发症的制药品。本发明还提供了制备1-硫代-D-葡萄糖醇化合物及其中间体的方法。
• 1-thio-D-glucitol derivatives
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US07910619B2

  公开（公告）日：2011-03-22

  The present invention provides a 1-thio-D-glucitol compound of the following formula, which shows the action of inhibiting the activity of SGLT2, a pharmaceutically acceptable salt of the compound, or a hydrate of the compound or the salt; and a pharmaceutical comprising such a compound as an active ingredient, especially, a pharmaceutical for preventing or treating diabetes, diabetes-related disease, or diabetic complication. The invention also provides a method for producing the 1-thio-D-glucitol compound and its intermediate.

  本发明提供了以下式的1-硫代-D-葡萄糖醇化合物，其表现出抑制SGLT2活性的作用，以及该化合物的药学上可接受的盐，或该化合物或盐的水合物；以及包含该化合物作为活性成分的制药物，特别是用于预防或治疗糖尿病、糖尿病相关疾病或糖尿病并发症的制药物。本发明还提供了一种制备1-硫代-D-葡萄糖醇化合物及其中间体的方法。
• 1-THIO-D-GLUCITOL DERIVATIVES
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1845095B1

  公开（公告）日：2011-09-07