1-丁氧基-3-甲基苯 | 23079-65-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-丁氧基-3-甲基苯
• 英文名称: 1-butoxy-3-methylbenzene
• 英文别名: m-cresyl-n-butyl ether；3-(n-butoxy)toluene；butyl-m-tolyl ether；Butyl-m-tolyl-aether；3-Butyloxy-toluol；1-butoxy-3-methyl-benzene
• CAS: 23079-65-4
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: UCEBQYXBQBLMSB-UHFFFAOYSA-N

物化性质

• 沸点：
  229.2°C (estimate)
• 密度：
  0.9406

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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-丁氧基-3-甲基苯 在 碘 、 二氧化氮 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以85%的产率得到2-iodo-5-(n-butoxy)toluene
  参考文献：
  名称：

  氮氧化物催化的芳烃亲电碘化

  摘要：

  AbstractNitrogen dioxide is demonstrated to be an effective catalyst precursor for the iodination of alkoxy‐substituted benzenes and naphthalenes. Different from the transition metal catalysts, nitrogen dioxide can be easily separated from the final products, and is free of heavy metal waste. Although the present catalyst precursor is toxic, it does not stain the final products due to its low‐boiling character. No other reagents apart from 0.5 equiv. of iodine (I2), 6.5 mol% nitrogen dioxide and acetonitrile solvent were used in the iodination, and basically all the iodine atoms in the iodine source were transferred to the iodination products, showing that the presented protocol is highly atom‐economic and practical.magnified image

  DOI：

  10.1002/adsc.201300581
• 作为产物：
  描述：

  3-<3-Chlor-buten-(2)-yloxy>-toluol 在 Lindlar's catalyst 氢气 作用下， 生成 1-丁氧基-3-甲基苯
  参考文献：
  名称：

  Bunina-Krivorukova,L.I. et al., Journal of Organic Chemistry USSR (English Translation), 1969, vol. 5, p. 885 - 890

  摘要：

  DOI：

文献信息

• NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110275603A1

  公开（公告）日：2011-11-10

  The present invention provides dihydroorotate dehydrogenase inhibitors, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of diseases or disorders wherein the inhibition of Dihydroorotate dehydrogenase is known to show beneficial effect.

  本发明提供了脱氢鸟苷酸脱氢酶抑制剂，其制备方法，含有它们的药物组合物以及治疗、预防和/或改善疾病或障碍的方法，其中已知抑制脱氢鸟苷酸脱氢酶具有益处效果。
• 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS
  申请人：Tansna Therapeutics Inc.

  公开号：US20150148430A1

  公开（公告）日：2015-05-28

  The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R 2 , R 4 , & R 5 , are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

  本公开提供用于治疗诸如惊厥和震颤等神经学状况的酚类化合物，其具有公式（I）的结构： 其中R2、R4和R5如详细描述中定义；包含至少一种该化合物的药物组合物；以及用于治疗神经学状况的方法。
• Light‐Promoted Nickel Catalysis: Etherification of Aryl Electrophiles with Alcohols Catalyzed by a Ni ^II ‐Aryl Complex
  作者：Liu Yang、Huan‐Huan Lu、Chu‐Hui Lai、Gang Li、Wei Zhang、Rui Cao、Fengyi Liu、Chao Wang、Jianliang Xiao、Dong Xue

  DOI：10.1002/anie.202003359

  日期：2020.7.27

  highly effective C−O coupling reaction of (hetero)aryl electrophiles with primary and secondary alcohols is reported. Catalyzed by a NiII‐aryl complex under long‐wave UV (390–395 nm) irradiation in the presence of a soluble amine base without any additional photosensitizer, the reaction enables the etherification of aryl bromides and aryl chlorides as well as sulfonates with a wide range of primary

  据报道，（杂）芳基亲电试剂与伯醇和仲醇的高效C-O偶联反应。在可溶性胺碱的存在下，在没有任何其他光敏剂的情况下，在长波紫外线（390–395 nm）辐射下，由Ni II-芳基络合物催化，该反应可以使芳基溴化物和芳基氯化物以及磺酸盐与多种伯和仲脂族醇，可提供合成上重要的醚。分子内CO偶联也是可能的。该反应似乎通过Ni I -Ni III催化循环进行。
• [EN] NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS IMMUNOMODULATEURS ET ANTI-INFLAMMATOIRES
  申请人：INCOZEN THERAPEUTICS PVT LTD

  公开号：WO2011138665A1

  公开（公告）日：2011-11-10

  The present invention provides dihydroorotate dehydrogenase inhibitors of formula (I), methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of diseases or disorders wherein the inhibition of Dihydroorotate dehydrogenase is known to show beneficial effect.

  本发明提供了式(I)的脱氢二氢乳酸脱氢酶抑制剂，其制备方法，含有它们的药物组合物以及治疗、预防和/或改善已知抑制二氢乳酸脱氢酶显示有益效果的疾病或疾病的方法。
• Selective para-Cyanation of Alkoxy- and Benzyloxy-Substituted Benzenes with Potassium Ferricyanide Promoted by Copper(II) Nitrate and Iodine
  作者：Yunlai Ren、Mengjie Yan、Shuang Zhao、Jianji Wang、Junying Ma、Xinzhe Tian、Weiping Yin

  DOI：10.1002/adsc.201200235

  日期：2012.8.13

  A simple method was developed for selective para-cyanation of alkoxy- and benzyloxy-substituted benzenes with 0.5 equivalents of potassium ferricyanide, 0.8 equivalants of copper(II) nitrate and 0.5 equivalents of iodine in acetonitrile. Among various phenyl carbon-hydrogen bonds, those at the para-position with regard to the alkoxy or benzyloxy groups were selectively cyanated in 20% to 87% yields

  一个简单的方法，用于选择性地开发对用0.5当量的铁氰化钾，硝酸铜0.8 equivalants和在乙腈中的0.5当量的碘的烷氧基和苄氧基-取代的苯的-cyanation。在各种苯基碳氢键中，相对于烷氧基或苄氧基处于对位的那些被选择性氰化，产率为20％至87％（23个例子）。本方法使用可商购的试剂，并且可以以十克规模进行。有趣的是，在不存在铁氰化钾的情况下，甲氧基苯以32％的产率氰化，这表明一部分产品的腈基可能来自溶剂乙腈。