di-n-butyl 2-methylphenyl phosphate | 97340-52-8

• 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: di-n-butyl 2-methylphenyl phosphate
• 英文别名: dibutyl 2-methylphenyl phosphate；Dibutyl (2-methylphenyl) phosphate
• CAS: 97340-52-8
• 化学式: C₁₅H₂₅O₄P
• 分子量: 300.335
• InChiKey: WNJNVWLGBGINMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻甲酚 、 氯磷酸二正丁基酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到di-n-butyl 2-methylphenyl phosphate
  参考文献：
  名称：

  [EN] ORGANOPHOSPHOROUS COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS ORGANOPHOSPHORÉS ET LEURS UTILISATIONS

  摘要：

  本文提供的有机磷化合物可作为酯酶蛋白的抑制剂，用于治疗酯酶相关疾病。

  公开号：

  WO2024020507A2

文献信息

• Butyrylcholinesterase Inhibitors
  申请人：JAL Therapeutics, LLC

  公开号：US20160206635A1

  公开（公告）日：2016-07-21

  Butyrylcholinesterase inhibitors, their formulation, and their use primarily in the treatment of neurodegenerative diseases. These inhibitors generally are phosphates, phosphonates, phosphinates, and phosphoramidates. These inhibitors can be incorporated in pharmaceutical compositions and administered to a patient in therapeutically effective amounts to treat neurodegenerative diseases.

  丁酰胆碱酯酶抑制剂，它们的配方，以及它们主要用于治疗神经退行性疾病。这些抑制剂通常是磷酸酯、膦酸酯、膦酸酯和磷酰胺酯。这些抑制剂可以被纳入药物组成，并以治疗有效量的方式给患者使用，以治疗神经退行性疾病。
• Selective Hydrogenation Catalyst and Methods of Making and Using Same
  申请人：Cheung Tin-Tack Peter

  公开号：US20100228065A1

  公开（公告）日：2010-09-09

  A composition comprising a supported hydrogenation catalyst comprising palladium and an organophosphorous compound, the supported hydrogenation catalyst being capable of selectively hydrogenating highly unsaturated hydrocarbons to unsaturated hydrocarbons. A method of making a selective hydrogenation catalyst comprising contacting a support with a palladium-containing compound to form a palladium supported composition, contacting the palladium supported composition with an organophosphorus compound to form a catalyst precursor, and reducing the catalyst precursor to form the catalyst. A method of selectively hydrogenating highly unsaturated hydrocarbons to an unsaturated hydrocarbon enriched composition comprising contacting a supported catalyst comprising palladium and an organophosphorous compound with a feed comprising highly unsaturated hydrocarbon under conditions suitable for hydrogenating at least a portion of the highly unsaturated hydrocarbon feed to form the unsaturated hydrocarbon enriched composition.

  一种包括支持的氢化催化剂的组合物，其中氢化催化剂包括钯和有机磷化合物，支持的氢化催化剂能够选择性地将高度不饱和烃氢化为不饱和烃。一种制备选择性氢化催化剂的方法，包括将支持物与含钯化合物接触以形成支持的钯组合物，将支持的钯组合物与有机磷化合物接触以形成催化剂前体，并还原催化剂前体以形成催化剂。一种将高度不饱和烃选择性氢化为富含不饱和烃的组合物的方法，包括将包括钯和有机磷化合物的支持催化剂与含高度不饱和烃的进料接触，在适宜的氢化条件下至少部分氢化高度不饱和烃进料以形成富含不饱和烃的组合物。
• BUTYRYLCHOLINESTERASE INHIBITORS
  申请人：Acey Roger A.

  公开号：US20100069337A1

  公开（公告）日：2010-03-18

  Butyrylcholinesterase inhibitors, their formulation, and their use primarily in the treatment of neurodegenerative diseases. These inhibitors generally are phosphates, phosphonates, phosphinates, and phosphoramidates. These inhibitors can be incorporated in pharmaceutical compositions and administered to a patient in therapeutically effective amounts to treat neurodegenerative diseases.

  丁酰胆碱酯酶抑制剂，它们的配方，主要用于治疗神经退行性疾病。这些抑制剂通常是磷酸酯、膦酸酯、膦酸酯和磷酰胺酯。这些抑制剂可以被纳入药物组合物中，并以治疗有效剂量的形式给患者使用，以治疗神经退行性疾病。
• SELECTIVE HYDROGENATION CATALYST AND METHODS OF MAKING AND USING SAME
  申请人：Chevron Phillips Chemical Company LP

  公开号：EP3144064A2

  公开（公告）日：2017-03-22

  A composition comprising a supported hydrogenation catalyst comprising palladium and an organophosphorous compound, the supported hydrogenation catalyst being capable of selectively hydrogenating highly unsaturated hydrocarbons to unsaturated hydrocarbons.

  一种由钯和有机磷化合物组成的载体加氢催化剂组成的组合物，该载体加氢催化剂能选择性地将高度不饱和烃加氢为不饱和烃。
• Synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di- n -butyl phosphates, effective butyrylcholinesterase inhibitors
  作者：Kensaku Nakayama、Jason P. Schwans、Eric J. Sorin、Trina Tran、Jeannette Gonzalez、Elvis Arteaga、Sean McCoy、Walter Alvarado

  DOI：10.1016/j.bmc.2017.04.002

  日期：2017.6

  A series of dialkyl aryl phosphates and dialkyl arylalkyl phosphates were synthesized. Their inhibitory activities were evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The di-n-butyl phosphate series consistently displayed selective inhibition of BChE over AChE. The most potent inhibitors of butyrylcholinesterase were di-n-butyl-3,5-dimethylphenyl phosphate (4b) [ICy = 1.0 0.4 LM] and di-n-butyl 2-naphthyl phosphate (5b) [K-t=1.9 0.4 I.L.M]. Molecular modeling was used to uncover three subsites within the active site gorge that accommodate the three substituents attached to the phosphate group. Phosphates 4b and 5b were found to bind to these three subsites in analogous fashion with the aromatic groups in both analogs being accommodated by the "lower region," while the lone pairs on the P=0 oxygen atoms were oriented towards the oxyanion hole. In contrast, din-butyl-3,4-dimethylphenyl phosphate (4a) [K = 9 111M], an isomer of 4b, was found to orient its aromatic group in the "upper left region" subsite as placement of this group in the "lower region" resulted in significant steric hindrance by a ridge-like region in this subsite. Future studies will be designed to exploit these features in an effort to develop inhibitors of higher inhibitory strength against butyrylcholinesterase. (C) 2017 Elsevier Ltd. All rights reserved.