2′,3-dichloro-2-hydroxydiphenyl ether

• 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: 2′,3-dichloro-2-hydroxydiphenyl ether
• 英文别名: 1,2'-dichloro-1'-hydroxy-diphenyl ether；2-chloro-6-(2-chlorophenoxy)phenol；2-Chloro-6-(2-chlorophenoxy)phenol
• 化学式: C₁₂H₈Cl₂O₂
• 分子量: 255.1
• InChiKey: OZAJDKHSNZFYER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  邻氯苯酚 在 双氧水 作用下， 以 aq. phosphate buffer 为溶剂， 反应 2.0h， 生成 2-chloro-4-(2-chlorophenoxy)phenol 、 2′,3-dichloro-2-hydroxydiphenyl ether
  参考文献：
  名称：

  Enzymatic removal of chlorophenols using horseradish peroxidase immobilized on superparamagnetic Fe3O4/graphene oxide nanocomposite

  摘要：

  Magnetic Fe3O4 nanoparticles were successfully deposited on graphene oxide sheets by ultrasound-assisted coprecipitation. The nanoparticles were characterized using transmission electron microscopy, vibrating sample magnetometry, and X-ray photoelectron spectroscopy. The synthesized material was used as a support for the immobilization of horseradish peroxidase (HRP). The removals of 2-chlorophenol, 4-chlorophenol, and 2,4-dichlorophenol using the immobilized HRP were investigated. Batch degradation studies were used to determine the effects of the initial solution pH values, reaction temperature, reaction time, H2O2 and chlorophenol concentrations, and immobilized enzyme dosage on the removal of chlorophenols. The different numbers and positions of electron-withdrawing substituents affected the chlorophenol removal efficiency; the order of the removal efficiencies was 2-chlorophenol < 4-chlorophenol < 2,4-dichlorophenol. The oxidation products formed during chlorophenol degradation were identified using gas chromatography-mass spectrometry. The biochemical properties of the immobilized HRP were investigated; the results indicated that the storage stability and tolerance to changes in pH and temperature of the immobilized HRP were better than those of free HRP. The nanoparticles were recovered using an external magnetic field, and the immobilized HRP retained 66% of its initial activity for the first four cycles, showing that the immobilized HRP had moderate stability. These results suggest that the immobilized enzyme has potential application in wastewater treatment. (C) 2015, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s1872-2067(15)60856-7

文献信息

• 3,5-DIETHYL-2-PROPYL-TETRAHYDROPYRAN AND STEREOISOMERS THEREOF FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3466938A1

  公开（公告）日：2019-04-10

  The present invention relates to 3,5-diethyl-2-propyl-tetrahydropyran of formula (I) and its stereoisomers and mixtures thereof, to a method for preparing 3,5-diethyl-2-propyl-tetrahydropyran or a stereoisomer thereof or a mixture of stereoisomers thereof, to the composition obtainable by this method, to the use of 3,5-diethyl-2-propyl-tetrahydropyran or of a stereoisomer or of a mixture of stereoisomers thereof or of said composition as an aroma chemical and to the use thereof for modifying the scent character of a fragranced composition, to an aroma chemical containing 3,5-diethyl-2-propyl-tetrahydropyran or a stereoisomer or a mixture of stereoisomers thereof or said composition, and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition.

  本发明涉及式 (I) 的 3,5-二乙基-2-丙基四氢吡喃 及其立体异构体和混合物，涉及一种制备 3,5-二乙基-2-丙基-四氢吡喃或其立体异构体或立体异构体混合物的方法，涉及通过该方法可获得的组合物，涉及将 3,5-二乙基-2-丙基-四氢吡喃或其立体异构体或立体异构体混合物或所述组合物用作芳香化学品，以及将其用于改变芳香组合物的香味特征、含有 3,5-二乙基-2-丙基-四氢吡喃或其立体异构体或立体异构体混合物或所述组合物的芳香化学品，以及制备芳香组合物或改变芳香组合物香味特征的方法。
• ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3453750A1

  公开（公告）日：2019-03-13

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=O)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=O)-Ra, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready-to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及通式（I）化合物的用途 其中 R1 是 C1-C4- 烷基或-(C=O)-R3，R2 是氢、C1-C4-烷基或-(C=O)-Ra，且 R3 和 R4 相互独立地选自氢和 C1-C4- 烷基、其立体异构体或其立体异构体混合物所组成的组、一种立体异构体或其立体异构体混合物的芳香化学组合物，以及一种制备芳香即用组合物的方法，该方法包括将至少一种通式(I)化合物、其立体异构体或其立体异构体混合物掺入一种即用组合物中。本发明还涉及通式（I）化合物的特定醚和特定酯及其制备方法。
• ALPHA,ALPHA-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3597626A1

  公开（公告）日：2020-01-22

  The present invention relates to the use of an α,α-disubstituted carboxylic acid ester of the general formula (I) wherein the variables are as defined in the claims and the description, or of mixtures of two or more of these α,α-disubstituted carboxylic acid esters or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an α,α-disubstituted carboxylic acid ester of the general formula (I) or a mixture of two or more of said α,α-disubstituted carboxylic acid esters or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific α,α-disubstituted carboxylic acid esters of the general formula (I).

  本发明涉及通式（I）的α,α-二取代羧酸酯的用途 其中的变量如权利要求和说明中所定义，或两种或两种以上这种α,α-二取代羧酸酯的混合物，或其立体异构体，或其两种或两种以上立体异构体的混合物作为芳香化学品的用途；其用于改变芳香组合物的香味特征；含有通式(I)的α,α-二取代羧酸酯或两种或两种以上所述α,α-二取代羧酸酯的混合物或其立体异构体或其两种或两种以上立体异构体的混合物的芳香化学组合物；以及制备芳香组合物或改变芳香组合物香味特征的方法。 本发明还涉及通式(I)的特定α,α-二取代羧酸酯。
• ESTERS AND ETHERS OF 3-METHYL-PENTAN-DIOL AND UNSATURATED DERIVATES THEREOF AND THEIR USE AS AROMA CHEMICAL
  申请人：BASF SE

  公开号：EP3561029A1

  公开（公告）日：2019-10-30

  The present invention relates to the use of esters of 3-methyl-pentan-diol and unsaturated derivates thereof and ethers of 3-methyl-pentan-diol and unsaturated derivates thereof as aroma chemicals, to aroma chemical compositions comprising at least one ester of 3-methyl-pentan-diol and unsaturated derivates thereof and/or at least one ether of 3-methyl-pentan-diol and unsaturated derivates thereof and to a method for preparing a fragranced composition in particular a fragranced ready-to-use composition, which comprises incorporating at least one ester of 3-methyl-pentan-diol and unsaturated derivates thereof and/or at least one ether 3-methyl-pentan-diol and unsaturated derivates thereof into a composition, in particular into a ready-to-use composition. The present invention further relates to specific ethers 3-methyl-pentan-diol and unsaturated derivates thereof and specific esters 3-methyl-pentan-diol and unsaturated derivates thereof and a method for their preparation.

  本发明涉及 3-甲基-戊二醇及其不饱和衍生物的酯类和 3-甲基-戊二醇及其不饱和衍生物的醚类作为芳香化学品的用途，涉及包含至少一种 3-甲基-戊二醇及其不饱和衍生物的酯类和/或至少一种 3-甲基-戊二醇及其不饱和衍生物的醚类的芳香化学品组合物，还涉及一种制备芳香组合物，特别是芳香即用组合物的方法、该方法包括将至少一种 3-甲基-戊二醇酯及其不饱和衍生物和/或至少一种 3-甲基-戊二醇醚及其不饱和衍生物加入组合物中，特别是加入即用型组合物中。本发明还涉及特定的 3-甲基-戊二醇醚及其不饱和衍生物和特定的 3-甲基-戊二醇酯及其不饱和衍生物，以及它们的制备方法。
• ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3640233A1

  公开（公告）日：2020-04-22

  The present invention relates to the use of an ether or an ester of a tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of tertiary alkanols.

  本发明涉及一种三级烷醇的醚或酯或两种或两种以上三级烷醇的醚或酯或其立体异构体的混合物或其两种或两种以上立体异构体的混合物作为芳香化学品的用途；其用于改变芳香组合物的香味特征；含有叔烷醇醚或酯或两种或两种以上叔烷醇醚或酯的混合物或其立体异构体或其两种或两种以上立体异构体的混合物的芳香化学组合物；以及制备芳香组合物或改变芳香组合物香味特征的方法。 本发明还涉及叔烷醇的特定醚或酯。