2-n-butyl-5,5-dimethyl-1,3-dioxane | 81367-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-n-butyl-5,5-dimethyl-1,3-dioxane
• 英文别名: 5,5-Dimethyl-2-butyl-1,3-dioxan；2-Butyl-5,5-dimethyl-1,3-dioxane
• CAS: 81367-55-7
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: XZQOGFBUEOLPKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正戊醛 、 2,2-二甲基-1,3-丙二醇 在 硫酸 作用下， 反应 1.0h， 生成 2-n-butyl-5,5-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Identification of 1,3-Dioxanes and 1,3-Dioxolanes as Malodorous Compounds at Trace Levels in River Water, Groundwater, and Tap Water

  摘要：

  A study of organic compounds imparting odor problems in river waters and groundwaters has been conducted. The Tordera aquifer located in Barcelona and Girona (NE Spain) is the water supply reserve for many seasonally crowded villages on the coast. Closed loop stripping analysis (CLSA)and flavor profile analysis (FPA) have been employed as analytical tools to identify the compounds responsible for the odor complaints. The feasibility of purge-and-trap (P&T) has also been evaluated. The 2-alkyl-5,5-dimethyl-1,3-dioxanes and 2-alkyl-4-methyl-1,3-dioxolanes were the most significant compounds identified in river water and groundwater with a threshold odor of 10 ng/L for 2-ethyl-5,5-dimethyl-1,3-dioxane (2EDD), the most malodorous compound. The analyses were carried out by HRGC/MS, and the synthesized 1,3-dioxanes and dioxolanes were characterized by CI-MS and EI-MS/MS techniques. A company, currently manufacturing saturated and unsaturated polyester resins, located in the upper course of the river, produced these compounds as byproducts during the synthesis of resins. The pollution by dioxanes and dioxolanes affected all the aquifer and slowly diminished to the ppt levels when the company was forced to correctly treat their wastewaters. Additional examples of the presence of dioxanes and dioxolanes in wastewaters of other resin plants and also tap water of Barcelona are shown.

  DOI：

  10.1021/es9704085

文献信息

• 3,3,9,9-Tetramethyl-1,5,7,11-tetraoxaspiro[5.5]undecane as a reagent for protection of carbonyl compounds
  作者：Mohammad Rahimizadeh、Mehdi Bakavoli、Ali Shiri、Hossein Eshghi、Sattar Saberi

  DOI：10.3184/030823408x382126

  日期：2008.12

  3,3,9,9-Tetramethyl-1,5,7,11-tetraoxaspiro[5.5]undecane is introduced as a new, stable and chemoselective reagent for the protection of aldehydes and ketones under mild reaction condition in high yield.

  3,3,9,9-四甲基-1,5,7,11-四氧杂螺[5.5]十一烷作为一种新的、稳定的化学选择性试剂被引入，用于在温和的反应条件下保护醛和酮，且收率高。
• Synthesis of Adipic Acid, 1,6-Hexanediamine, and 1,6-Hexanediol via Double-<i>n</i>-Selective Hydroformylation of 1,3-Butadiene
  作者：Jaroslaw Mormul、Jan Breitenfeld、Oliver Trapp、Rocco Paciello、Thomas Schaub、Peter Hofmann

  DOI：10.1021/acscatal.6b00189

  日期：2016.5.6

  A method for the synthesis of the industrially relevant monomers adipic acid, 1,6-hexanediol (HDO), and 1,6-hexanediamine (HMD) via isomerizing hydroformylation of 1,3-butadiene is described. The aldehyde intermediates are protected in situ as acetals to avoid hydrogenation to pentanal. Adipic aldehyde diacetal is obtained in good yields, and the first examples for the conversion toward adipic acid

  描述了通过1，3-丁二烯的异构化加氢甲酰化合成工业上相关的单体己二酸，1，6-己二醇（HDO）和1，6-己二胺（HMD）的方法。醛中间体作为缩醛原位保护，以避免氢化成戊醛。以高收率获得己二醛二缩醛，并且显示了向己二酸，1，6-己二醇和1，6-己二胺转化的第一个实例。
• [EN] SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF<br/>[FR] INHIBITION PAR DES PETITES MOLÉCULES DU FACTEUR DE TRANSCRIPTION SALL4 ET SES UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2019070943A1

  公开（公告）日：2019-04-11

  Provided herein are compounds that interrupt the function of SALL4. Also described are pharmaceutical compositions and medical uses of these compounds.

  本文提供了一些干扰SALL4功能的化合物。同时还描述了这些化合物的药物组合物和医疗用途。
• CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：Mazitschek Ralph

  公开号：US20120208889A1

  公开（公告）日：2012-08-16

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.

  本文描述的具有一般式（I）和（II）及其药学上可接受的盐的HDAC抑制剂，可用作组蛋白去乙酰化酶或其他去乙酰化酶的抑制剂，并因此可用于治疗与去乙酰化酶/乙酰化酶活性相关的各种疾病和疾病，如本文所述（例如癌症）。在某些实施例中，本发明的化合物有选择性地靶向HDAC家族的一类或同工酶。本发明的另一个方面提供了一种测定试验化合物对HDAC蛋白质抑制作用的测定方法，包括：在试验化合物的存在下，将HDAC蛋白质与一般式（IIIc）的底物孵育，并确定HDAC蛋白质的活性。
• INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP3885343A1

  公开（公告）日：2021-09-29

  The present disclosure provides compounds of Formula (II). The compounds described herein are inhibitors of histone methyltransferases (e.g., enhancer of zeste homolog 1 (EZH1) and enhancer of zeste homolog 2 (EZH2)) and are useful in treating and/or preventing a broad range of diseases (e.g., proliferative diseases). Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including or using a compound described herein. Further provided in the present disclosure are methods of identifying EZH1 and/or EZH2 inhibitors.

  本公开提供了式（II）化合物。 本文所述化合物是组蛋白甲基转移酶（如泽斯特同源增强子 1 (EZH1) 和泽斯特同源增强子 2 (EZH2)）的抑制剂，可用于治疗和/或预防多种疾病（如增殖性疾病）。本公开还提供了包括或使用本文所述化合物的药物组合物、试剂盒、方法和用途。本公开还提供了鉴定EZH1和/或EZH2抑制剂的方法。