2,6-dimethyl-heptane-2,4-diol | 73264-93-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-dimethyl-heptane-2,4-diol
• 英文别名: α.α-Dimethyl-α'-isobutyl-trimethylenglykol；2,6-Dimethyl-heptan-2,4-diol；2,6-Dimethylheptane-2,4-diol；2,6-dimethylheptane-2,4-diol
• CAS: 73264-93-4
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: ITUSHZAINIWHAL-UHFFFAOYSA-N

物化性质

• 沸点：
  97 °C(Press: 7 Torr)
• 密度：
  0.9020 g/cm3(Temp: 18 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-heptane-2,4-diol 、 chloro(iodomethyl)diisopropylsilane 在 咪唑 作用下， 以 四氢呋喃 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  醇的远程未活化 C(sp3)-H 键的无过渡金属和无光定向胺化

  摘要：

  由于氨基醇的巨大价值，对其合成的新方法的需求量很大。丰富的脂肪醇代表了针对这一重要主题的方法开发的理想原料。迄今为止，已经很好地建立了用于醇的定向远程胺化的过渡金属催化方法。然而，它们具有某些缺点，例如使用昂贵的催化剂和有限的范围。最近，无过渡金属的可见光诱导自由基方法已经成为用于醇定向远程胺化的新的强大工具。依靠 1,5-HAT 反应性，这些方法仅限于 β-或 δ-胺化。在此，我们报告了一种新的无过渡金属和无可见光的室温自由基方法，用于远程 β-、γ-、

  DOI：

  10.1021/jacs.9b04189
• 作为产物：
  描述：

  4,4-Dimethyl-6-(2-methylpropyl)-1,3-dioxan-2-one 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以23.0 mg的产率得到2,6-dimethyl-heptane-2,4-diol
  参考文献：
  名称：

  通过受控、自由基介导的 C−H 官能化合成 1,3-二醇

  摘要：

  描述了通过受控的自由基介导的 CH 官能化从相应的醇合成 1,3-二醇的方法的发明。本文所述的序列需要近乎定量地转化为相应的氨基甲酸三氟乙酯，然后是 Hofmann-Löffler-Freytag 反应的变体、环化和水解以提供 1,3-二醇。除了本文提供的 10 个实例之外，这种定向氧官能化还促进了四种天然产物的合成。该方法被证明与其他已知的 CH 氧化是正交的。最后，这个序列是高效、实用、廉价且可扩展的。

  DOI：

  10.1021/ja802491q

文献信息

• [EN] PART-STREAM DISTILLATION<br/>[FR] DISTILLATION DE FLUX PARTIEL
  申请人：BASF SE

  公开号：WO2016066629A1

  公开（公告）日：2016-05-06

  A continuous process for the preparation of propylene oxide, comprising (a) reacting propene with hydrogen peroxide in a reaction apparatus in the presence of acetonitrile as solvent, obtaining a stream SO containing propylene oxide, acetonitrile, water, at least one further component B wherein the normal boiling point of the at least one component B is higher than the normal boiling point of acetonitrile; (b) separating propylene oxide from SO, obtaining a stream SI containing acetonitrile, water and the at least one further component B; (c) dividing S1 into two streams S2 and S3; (d) subjecting S3 to a vapor-liquid fractionation in a first fractionation unit, obtaining a vapor fraction stream S4 a being depleted, relative to S3, of at least one of the at least one component B and obtaining a liquid bottoms stream S4b, and subjecting at least part of the vapor fraction stream S4 a to a vapor-liquid fractionation in a second fractionation unit, obtaining a vapor fraction stream S4c and a liquid bottoms stream S4 being depleted, relative to S4a, of at least one of the at least one component B; (e) recycling at least a portion of S4, optionally after work-up, to (a).

  一种制备丙烯氧的连续工艺，包括(a)在存在乙腈作为溶剂的反应装置中，将丙烯与过氧化氢反应，得到含有丙烯氧、乙腈、水和至少一种进一步组分B的流SO；(b)从SO中分离丙烯氧，得到含有乙腈、水和至少一种进一步组分B的流SI；(c)将S1分成两个流S2和S3；(d)在第一分馏装置中对S3进行汽液分馏，得到贫化至少一种组分B的汽相流S4a相对于S3，并得到液体底流S4b，并对至少部分汽相流S4a进行第二分馏装置的汽液分馏，得到汽相流S4c和贫化至少一种组分B的液体底流S4；(e)将至少一部分S4回收，可选地经过后续处理后返回(a)。
• PROCESS FOR PREPARING PROPYLENE OXIDE
  申请人：BASF SE

  公开号：US20160176834A1

  公开（公告）日：2016-06-23

  A continuous process for the preparation of propylene oxide, comprising (i) providing a liquid feed stream comprising propene, hydrogen peroxide, acetonitrile, water, optionally propane, and at least one dissolved potassium salt of a phosphorus oxyacid wherein the molar ratio of potassium relative to phosphorus in the at least one potassium salt of a phosphorus oxyacid is in the range of from 0.6 to 1.4; (ii) passing the liquid feed stream provided in (i) into an epoxidation reactor comprising a catalyst comprising a titanium zeolite of structure type MVVW comprising zinc, and subjecting the liquid feed stream to epoxidation reaction conditions in the epoxidation reactor, obtaining a reaction mixture comprising propylene oxide, acetonitrile, water, the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane; (iii) removing an effluent stream from the epoxidation reactor, the effluent stream comprising propylene oxide, acetonitrile, water, at least a portion of the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane.

  一种制备丙烯醚的连续过程，包括(i)提供液态进料流，包括丙烯、过氧化氢、乙腈、水、可选的丙烷和至少一种磷氧酸钾盐，其中至少一种磷氧酸钾盐中钾与磷的摩尔比在0.6至1.4范围内；(ii)将提供的液态进料流引入包含一种结构类型为MVVW的钛沸石催化剂的环氧化反应器中，并在环氧化反应器中进行环氧化反应条件，得到反应混合物，包括丙烯醚、乙腈、水、至少一种磷氧酸钾盐、可选的丙烷和可选的丙烯；(iii)从环氧化反应器中移除流出的废液流，该废液流包括丙烯醚、乙腈、水、至少一部分磷氧酸钾盐、可选的丙烷和可选的丙烯。
• Catalyst system for preparing propylene oxide
  申请人：BASF SE

  公开号：US10053439B2

  公开（公告）日：2018-08-21

  A catalytic system containing a titanium zeolite of structure type MWW optionally containing zinc and containing at least one of an inorganic potassium salt and an organic potassium salt is provided. The catalyst system is useful in the preparation of propylene oxide.

  提供了一种含有结构类型为 MWW 的钛沸石的催化体系，该钛沸石可选地含有锌，并含有无机钾盐和有机钾盐中的至少一种。该催化剂体系可用于制备环氧丙烷。
• Part-stream distillation
  申请人：BASF SE

  公开号：US10316007B2

  公开（公告）日：2019-06-11

  A continuous process for preparing propylene oxide proceeds by (a) reacting propene with hydrogen peroxide in a reaction apparatus in the presence acetonitrile as solvent, obtaining a stream S0 containing propylene oxide, acetonitrile, water, at least one further component B; (b) separating propylene oxide from S0, obtaining stream S1 containing acetonitrile, water and B; (c) dividing S1 into streams S2 and S3; (d) subjects S3 to vapor-liquid fractionation in a first fractionation unit, obtaining vapor fraction stream S4a being depleted, relative to S3, of at least one of B and obtaining liquid bottoms stream S4b, and subjecting at least part of vapor fraction stream S4a to vapor-liquid fractionation in a second fractionation unit, obtaining vapor fraction stream S4c and liquid bottoms stream S4 being depleted, relative to S4a, of at least one of B; (e) recycling at least a portion of S4 to (a).

  一种制备环氧丙烷的连续工艺通过以下步骤进行：(a)在存在乙腈作为溶剂的情况下，在反应装置中使丙烯与过氧化氢反应，得到含有环氧丙烷、乙腈、水和至少一种组分B的液流S0；(b)从S0中分离环氧丙烷，得到含有乙腈、水和B的液流S1；(c)将S1分成液流S2和S3；(d) 将 S3 在第一分馏单元中进行气液分馏，得到相对于 S3 至少已去除一种 B 的气态馏分流 S4a，并得到液态底物流 S4b，将至少一部分气态馏分流 S4a 在第二分馏单元中进行气液分馏，得到相对于 S4a 至少已去除一种 B 的气态馏分流 S4c 和液态底物流 S4；(e) 将至少一部分 S4 回收至 (a)。
• Process for the preparation of propylene oxide
  申请人：BASF SE

  公开号：US10544115B2

  公开（公告）日：2020-01-28

  A continuous process for the preparation of propylene oxide, comprising a start-up stage and normal run stage, wherein the normal run stage comprises (i) continuously providing a liquid feed stream comprising propene, hydrogen peroxide, acetonitrile, a formate salt, water and optionally propane, wherein in the liquid feed stream, the molar amount of the formate salt relative to the molar amount of hydrogen peroxide at a given point of time during the normal run stage is aN(Fo/H2O2); (ii) continuously passing the liquid feed stream provided in (i) into an epoxidation zone comprising a catalyst comprising a titanium zeolite having framework type MWW, and subjecting the liquid feed stream to epoxidation reaction conditions in the epoxidation zone, obtaining a reaction mixture comprising propylene oxide, acetonitrile, water, the formate salt, optionally propene, and optionally propane; (iii) continuously removing an effluent stream from the epoxidation zone, the effluent stream comprising propylene oxide, acetonitrile, water, at least a portion of the formate salt, optionally propene, and optionally propane; wherein the normal run stage is characterized in an average rate of change of aN(Fo/H2O2) of less than 0 h−1.

  一种制备环氧丙烷的连续工艺，包括启动阶段和正常运行阶段，其中正常运行阶段包括(i)连续提供由丙烯、过氧化氢、乙腈、甲酸盐、水和可选丙烷组成的液体进料流，其中在液体进料流中，在正常运行阶段的给定时间点甲酸盐相对于过氧化氢的摩尔量为aN(Fo/H2O2)；(ii) 将(i)中提供的液体进料流连续通入环氧化区，环氧化区包括由框架类型为 MWW 的钛沸石组成的催化剂，并在环氧化区将液体进料流置于环氧化反 应条件下，得到由环氧丙烷、乙腈、水、甲酸盐、可选的丙烯和可选的丙烷组成 的反应混合物；(iii) 从环氧化区连续移除废液流，废液流包括环氧丙烷、乙腈、水、至少一部分甲酸盐、可选的丙烯和可选的丙烷；其中正常运行阶段的特征是 aN(Fo/H2O2)的平均变化率小于 0 h-1。