4-(m-tolyloxy)phenol | 58908-97-7

• 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: 4-(m-tolyloxy)phenol
• 英文别名: p-(3-methylphenoxy)-phenol；4-(3-Methylphenoxy)phenol
• CAS: 58908-97-7
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: BNMNQSSEFSCQJH-UHFFFAOYSA-N

物化性质

• 沸点：
  327.3±25.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(m-tolyloxy)phenol 生成 1-benzoyloxy-4-m-tolyloxy-benzene
  参考文献：
  名称：

  Walter, Barell-Festschr. S. 266, 268

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,6-Tri-tert-butyl-4-m-tolyloxy-cyclohexa-2,5-dienone 在 三氯化铝 、 硝基甲烷 作用下， 生成 4-(m-tolyloxy)phenol
  参考文献：
  名称：

  Studies on Selective Preparation of Aromatic Compounds; 18¹. A New Preparative Method for Aryl 4-Hydroxyphenyl Ethers

  摘要：

  DOI：

  10.1055/s-1978-24764

文献信息

• Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14
  作者：Julian A. Blagg、Mark C. Noe、Lilli A. Wolf-Gouveia、Lawrence A. Reiter、Ellen R. Laird、Shang-Poa P. Chang、Dennis E. Danley、James T. Downs、Nancy C. Elliott、James D. Eskra、Richard J. Griffiths、Joel R. Hardink、Amber I. Haugeto、Christopher S. Jones、Jennifer L. Liras、Lori L. Lopresti-Morrow、Peter G. Mitchell、Jayvardhan Pandit、Ralph P. Robinson、Chakrapani Subramanyam、Marcie L. Vaughn-Bowser、Sue A. Yocum

  DOI：10.1016/j.bmcl.2005.02.038

  日期：2005.4

  Through the use of computational modeling, a series of pyrimidinetrione-based inhibitors of MMP-13 was designed based on a lead inhibitor identified through file screening. Incorporation of a biaryl ether moiety at the C-5 position of the pyrimidinetrione ring resulted in a dramatic enhancement of MMP-13 potency. Protein crystallography revealed that this moiety binds in the S(1)(') pocket of the enzyme

  通过使用计算模型，基于通过文件筛选确定的先导抑制剂，设计了一系列基于嘧啶三酮的MMP-13抑制剂。在嘧啶三酮环的C-5位置掺入联芳基醚部分导致MMP-13效力显着提高。蛋白质晶体学揭示该部分结合在酶的S（1）（'）口袋中。末端芳族环的C-4取代基的优化导致相对于MMP-14（MT-1 MMP）的选择性的结合。满足我们体外效价和选择性目标的化合物的药代动力学数据显示了联芳醚取代基的结构活性关系。
• Carbamic acid esters and use as pesticides
  申请人：Hoffmann-La Roche Inc.

  公开号：US04413010A1

  公开（公告）日：1983-11-01

  Carbamic acid compounds of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, X and Y are as hereinafter set forth, processes for their preparation, pesticidal compositions containing one or more of the carbamic acid compounds as the active ingredient and methods for using the pesticidal compositions for the control of pests, particularly insects, mites and nematodes, are described.

  本文描述了化学式为##STR1##的碳酸化合物，其中R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5，R.sup.6，X和Y如下所述，以及它们的制备过程、含有一种或多种碳酸化合物作为活性成分的杀虫剂组合物和使用这些杀虫剂组合物控制害虫，特别是昆虫、螨和线虫的方法。
• Carbamic acid esters
  申请人：Hoffmann-La Roche Inc.

  公开号：US04625048A1

  公开（公告）日：1986-11-25

  Carbamic acid esters of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, X, and Y are as defined hereinafter, process for their preparation, as well as pesticidal compositions containing these compounds as the active ingredient and methods for using the pesticidal compositions for the control of pests are described.

  该专利描述了一种公式为##STR1##的碳酸酯，其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、X和Y的定义如下，以及它们的制备方法，以及含有这些化合物作为活性成分的杀虫剂组合物，以及使用这些杀虫剂组合物来控制害虫的方法。
• N-substituted azoles and insecticide, arachnicide, and nematocide
  申请人：BASF Aktiengesellschaft

  公开号：US04943585A1

  公开（公告）日：1990-07-24

  ##STR1## N-substituted azoles of the formula I where R.sup.1, R.sup.2, R.sup.3 are each hydrogen, halogen, C.sub.1 -C.sub.8 -alkyl, C.sub.1 -C.sub.8 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.3 -C.sub.10 -cycloalkyl, nitro or cyano, Q is an unsubstituted or substituted azole group of the formula IIa-IIf ##STR2## R.sup.4 to R.sup.15 denoting hydrogen, halogen, C.sub.1 -C.sub.8 -alkyl, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.3 -C.sub.10 -cycloalkyl or aryl which is unsubstituted or mono- di- or trisubstituted by halogen, C.sub.1 -C.sub.8 -alkyl, C.sub.1 -C.sub.8 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl or C.sub.1 -C.sub.4 -haloalkoxy, and X is, in the case of the azole group IIa, --CH.sub.2 -- or -O(CH.sub.2).sub.n --, n being one of the integers 1, 2 or 3, or, in the case of the azole groups IIb-IIf, --OCH.sub.2 --, pesticides containing compounds I as active ingredients, and a process for combating pests.

  式I的N-取代咪唑化合物，其中R.sup.1、R.sup.2、R.sup.3分别为氢、卤素、C.sub.1 -C.sub.8 -烷基、C.sub.1 -C.sub.8 -氧基、C.sub.1 -C.sub.4 -卤代烷基、C.sub.1 -C.sub.4 -卤代氧基、C.sub.3 -C.sub.10 -环烷基、硝基或氰基，Q为式IIa-IIf的未取代或取代咪唑基团 ##STR2## 其中R.sup.4至R.sup.15表示氢、卤素、C.sub.1 -C.sub.8 -烷基、C.sub.1 -C.sub.4 -卤代烷基、C.sub.1 -C.sub.4 -氧基、C.sub.3 -C.sub.10 -环烷基或芳基，该芳基未取代或经卤素、C.sub.1 -C.sub.8 -烷基、C.sub.1 -C.sub.8 -氧基、C.sub.1 -C.sub.4 -卤代烷基或C.sub.1 -C.sub.4 -卤代氧基的单取代、双取代或三取代，X为，在咪唑基IIa的情况下，--CH.sub.2 --或-O(CH.sub.2).sub.n --，n为整数1、2或3之一，或在咪唑基IIb-IIf的情况下，--OCH.sub.2 --，含有化合物I作为活性成分的杀虫剂，以及用于防治害虫的方法。
• Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst
  申请人：——

  公开号：US20040077487A1

  公开（公告）日：2004-04-22

  There are provided (asymmetric) complex catalysts comprising metal complexes and Lewis acids as components, the metal complex being of formula (1): 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are the same or different and are independently hydrogen, halogen, alkyl or the like; one of R 9 and R 10 is hydrogen and the other is alkyl of 1 to 4 carbon atoms or the like; Q is a single bond or alkylene of 1 to 4 carbon atoms; M is a metal ion; and A is a balancing counter ion or ligand; processes for the production of these complex catalysts; processes for the production of (optically active) alcohol derivatives, characterized in that cyclic ether compounds are reacted with phenol derivatives in the presence of these complex catalysts; and further processes for producing (optically active) nitrogen-containing heterocyclic compounds by reacting these alcohol derivatives with halogenated nitrogen-containing heterocyclic compounds in the presence of a base.

  提供了由金属配合物和路易斯酸组成的（不对称的）复杂催化剂，其中金属配合物的化学式为（1）：1其中R1、R2、R3、R4、R5、R6、R7和R8相同或不同，独立地是氢、卤素、烷基或类似物；R9和R10中的一个是氢，另一个是1至4个碳原子的烷基或类似物；Q是单键或1至4个碳原子的烷基；M是金属离子；A是平衡的反离子或配体；制备这些复杂催化剂的方法；制备（光学活性的）醇衍生物的方法，其特征在于在这些复杂催化剂的存在下，环氧化合物与酚衍生物反应；以及在碱的存在下，通过将这些醇衍生物与卤素化的含氮杂环化合物反应，制备（光学活性的）含氮杂环化合物的进一步方法。