1-溴-4-异丙氧基-2-甲基苯 | 86786-24-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-溴-4-异丙氧基-2-甲基苯
• 中文别名: 2-溴-5-异丙氧基甲苯
• 英文名称: 1-bromo-4-isopropoxy-2-methylbenzene
• 英文别名: 2-bromo-5-isopropoxytoluene；1-bromo-2-methyl-4-propan-2-yloxybenzene
• CAS: 86786-24-5
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: ISQADIFNVMNUSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-溴-4-异丙氧基-2-甲基苯 在 哌啶 、 溴乙烷 、 magnesium 作用下， 以 吡啶 为溶剂， 反应 18.75h， 生成 4-isopropoxy-2-methylcinnamic acid
  参考文献：
  名称：

  Pearson, Anthony J.; Perrior, Trevor R.; Griffin, David A., Journal of the Chemical Society. Perkin transactions I, 1983, p. 625 - 631

  摘要：

  DOI：
• 作为产物：
  描述：

  1-isopropoxy-3-methylbenzene 在 硫酸 、 双氧水 、 potassium bromide 作用下， 以 水 为溶剂， 以85 %的产率得到1-溴-4-异丙氧基-2-甲基苯
  参考文献：
  名称：

  [EN] PROCESS AND INTERMEDIATES FOR PREPARATION OF ISOFETAMID
  [FR] PROCÉDÉ ET INTERMÉDIAIRES POUR LA PRÉPARATION D'ISOFÉTAMID

  摘要：

  The present disclosure relates to novel intermediates, preparation process thereof, and a process for producing isofetamid. The present disclosure also relates to the use of novel intermediates for preparing isofetamid. The present disclosure further relates to a process for preparation of some other intermediates of isofetamid using the novel intermediates.

  公开号：

  WO2023082149A1

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。
• STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20180305381A1

  公开（公告）日：2018-10-25

  The present disclosure provides tri-orthoalkylphenyl phosphine catalysts that are tuned electrically and sterically. Method of using the catalyst for cross-coupling of unactivated secondary boronic acids with near-perfect levels of site- and stereoretention are also provided.

  本公开提供了经过电学和立体调节的三正烷基苯基膦催化剂。还提供了使用该催化剂进行未活化的次硼酸与近乎完美的位点和立体保留进行交叉偶联的方法。
• Stereoretentive cross-coupling of boronic acids
  申请人：The Board of Trustees of the University of Illinois

  公开号：US10370393B2

  公开（公告）日：2019-08-06

  The present disclosure provides tri-orthoalkylphenyl phosphine catalysts of formula I wherein A is CH2, C═O, or NRA; R1 is aryl, heteroaryl, isopropyl, tert-butyl, cycloalkyl, or heterocycloalkyl, wherein aryl, heteroaryl, cycloalkyl and heterocycloalkyl are optionally substituted; R2 is H, (C1-C8)alkyl, (C1-C8)alkoxy, N(RA)2, or an electron withdrawing group; and each RA is independently H or (C1-C8)alkyl; that are tuned electrically and sterically.

  本公开提供了式 I 的三正烷基苯基膦催化剂 其中，A 是 CH2、C═O 或 NRA；R1 是芳基、杂芳基、异丙基、叔丁基、环烷基或杂环烷基，其中芳基、杂芳基、环烷基和杂环烷基可选择被取代；R2 是 H、(C1-C8)烷基、(C1-C8)烷氧基、N(RA)2 或一个电子萃取基团；每个 RA 独立地是 H 或 (C1-C8)烷基；它们在电性和立体性上可调谐。
• Piperazine Oxadiazole Inhibitors of Acetyl-CoA Carboxylase
  作者：Matthew P. Bourbeau、Aaron Siegmund、John G. Allen、Hong Shu、Christopher Fotsch、Michael D. Bartberger、Ki-Won Kim、Renee Komorowski、Melissa Graham、James Busby、Minghan Wang、James Meyer、Yang Xu、Kevin Salyers、Mark Fielden、Murielle M. Véniant、Wei Gu

  DOI：10.1021/jm401601s

  日期：2013.12.27

  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.
• PEARSON, A. J.;PERRIOR, T. R.;GRIFFIN, D. A., J. CHEM. SOC. PERKIN TRANS., 1983, N 3, 625-631
  作者：PEARSON, A. J.、PERRIOR, T. R.、GRIFFIN, D. A.

  DOI：——

  日期：——