1-(3-Methylphenoxy)-2-butanol | 87536-40-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-Methylphenoxy)-2-butanol
• 英文别名: 1-(3-Methylphenoxy)butan-2-ol
• CAS: 87536-40-1
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: VOVTZLSOGNEITD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 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：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-Methylphenoxy)-2-butanol 在 吡啶 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 Benzyl-carbamic acid 1-m-tolyloxymethyl-propyl ester
  参考文献：
  名称：

  Phytoene Desaturase Inhibition by O-(2-Phenoxy)ethyl-N-aralkylcarbamates

  摘要：

  O-[1-Ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-benzylcarbamate exhibits a marked inhibition of carotenoid biosynthesis. Forty-one analogues were synthesized and assayed for plant-type phytoene desaturase (PDS) and zeta-carotene desaturase (ZDS) inhibition in a cell-free system using recombinant enzymes obtained from Escherichia coli transformants. The target enzyme of all carbamates synthesized in this study is PDS and not ZDS; no inhibition of ZDS was observed using a 10(-4) M inhibitor concentration. Four compounds, O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-phenylethyl)carbamate (23), O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-chlorobenzyl)carbamate (25), O-[1-ethyl-2-(3-trifluoromethylphenoxy)]ethyl-N-(2-chlorobenzyl)carbamate (26), and a[1-methyl-2(3-trifluoromethylphenoxy)]ethyl-N-benzylcarbamate (30), were the most potent PDS inhibitors. Their p/(50) values, the negative logarithms of the molar concentration that produces a 50% inhibition, were 7.5, representing the same inhibitory activity as norflurazon. With respect to a structure-activity relationship the oxygen atom of the phenoxy group and a carbamate structure in O-(1-ethyl-2-phenoxy) ethyl-N-aralkylcarbamates studied were found to be essential for strong PDS inhibitors. Also, introduction of an ethyl group at the alpha-position of the ethylene bridge between the phenoxy group and the carbamate was important for a strong PDS inhibitor. Substituents at the 2- and/or 3-position of the phenoxybenzene ring were found to be favorable to a strong PDS inhibition of the analogues.

  DOI：

  10.1021/jf0262413
• 作为产物：
  描述：

  丁氯醇 、 间甲酚 在 sodium hydroxide 作用下， 反应 4.0h， 以70%的产率得到1-(3-Methylphenoxy)-2-butanol
  参考文献：
  名称：

  Gasanov, V. S.; Alekperov, R. K., Journal of Organic Chemistry USSR (English Translation), 1983, p. 1077 - 1081

  摘要：

  DOI：

文献信息

• 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。
• METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1982972A1

  公开（公告）日：2008-10-22

  A method for producing an optically active alcohol compound comprising reacting a cyclic ether compound with a phenol compound in the presence of an asymmetric complex obtained by reacting an optically active metal complex represented by the formula (1): wherein R1, R2, R3, R4, R5, R6, R7 and R8 are the same or different and each independently represent a hydrogen atom, an alkyl group or the like; one of R9 and R10 is a hydrogen group and the other is a substituted or unsubstituted phenyl group or the like; Q represents a single bond, a C1-C4 alkylene group or the like; M represents a metal ion; and when an ionic valency of the metal ion is same as a coordination number of a ligand, A is nonexistent, and when the above-mentioned ionic valency is different from the coordination number, and A represents a counter ion or a ligand, with a zirconium alkoxide or a hafnium alkoxide.

  一种生产光学活性醇化合物的方法，包括在由式（1）表示的光学活性金属络合物反应得到的不对称络合物存在下，使环醚化合物与苯酚化合物反应： 其中 R1、R2、R3、R4、R5、R6、R7 和 R8 相同或不同，且各自独立地代表氢原子、烷基或类似基团； R9 和 R10 中的一个是氢基，另一个是取代或未取代的苯基或类似基团； Q 代表单键、C1-C4 亚烷基或类似物； M 代表金属离子；当金属离子的离子价与配体的配位数相同时，A 不存在，当上述离子价与配位数不同时，A 代表金属离子。 当上述离子价与配位数不同，且 A 代表反离子或配体时，用氧化锆或氧化铪。
• [DE] SUBSTITUIERTE ARYLOXYALKYLAMINOTRIAZINE<br/>[EN] SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES<br/>[FR] ARYLOXYALKYLAMINOTRIAZINES SUBSTITUEES
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：WO1999021841A1

  公开（公告）日：1999-05-06

  (DE) Die Erfindung betrifft neue substituierte Aryloxyalkylaminotriazine der Formel (I), in welcher R1 z.B. für H oder C1-C6-Alkyl steht, R2 z.B. für H, C1-C6-Alkyl order C1-C6-Alkylcarbonyl steht, R3 z.B. für C2-C6-Alkyl steht, R4 z.B. für H oder C1-C4-Alkyl steht, Ar z.B. für substituiertes oder unsubstituiertes Phenyl steht und Z z.B. für Halogen, C1-C6-Alkyl, C1-C6-Hydroxyalkyl, C1-C6-Halogenalkyl oder C3-C6-Cycloalkyl steht, Verfahren zu ihrer Herstellung und ihre Verwendung als Herbizide.(EN) The invention relates to novel substituted aryloxy alkyl amino triazines of formula (I) wherein R1 stands, for example, for H or C1-C6 alkyl; R2 stands, for example, for H, C1-C6-alkyl or C1-C6 alkyl carbonyl; R3 stands, for example, for C2-C6 alkyl, R4 stands for example for H or C1-C4 alkyl; AR stands, for example, for substituted or unsubstituted phenyl and Z stands, for example, halogen, C1-C6 alkyl, C1-C6 hydroxy alkyl, C1-C6 halogen alkyl or C3-C6 cyclo alkyl. The invention also relates to a method for the production and use thereof as herbicides.(FR) L'invention concerne de nouvelles aryloxyalkylaminotriazines substituées de formule (I), dans laquelle R1 désigne, par exemple, H ou un alkyle en C1-C6, R2 désigne, par exemple, H, un alkyle en C1-C6 ou un alkylcarbonyle en C1-C6, R3 désigne, par exemple, un alkyle en C2-C6, R4 désigne, par exemple, H ou un alkyle en C1-C4, Ar désigne, par exemple, un phényle substitué ou non substitué, et Z désigne, par exemple, un halogène, un alkyle en C1-C6, hydroxyalkyle en C1-C6, halogénoalkyle en C1-C6 ou un cycloalkyle en C3-C6. L'invention concerne également un procédé de fabrication de ces produits ainsi que leur utilisation comme herbicides.

  该发明涉及一种新型的取代基氨基甲硝唑，其化学式为(I)，其中R1例如为H或C1-C6的烷基，R2例如为H、C1-C6的烷基或C1-C6的甲基羰基，R3例如为C2-C6的烷基，R4例如为H或C1-C4的烷基，Ar例如为取代基或未取代基的苯基，Z例如为卤素、C1-C6的烷基、 C1-C6的羟基烷基、C1-C6的卤素烷基或C3-C6的环烷基。 发明还涉及所述新型取代基氨基甲硝唑的制备方法及其作为除草剂的应用。
• COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1380342B1

  公开（公告）日：2009-07-01
• GASANOV, V. S.;ALEKPEROV, R. K., ZH. ORGAN. XIMII, 1983, 19, N 6, 1208-1212
  作者：GASANOV, V. S.、ALEKPEROV, R. K.

  DOI：——

  日期：——