1,1,1-trimethylolheptane | 4780-31-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1,1,1-trimethylolheptane
• 英文别名: trimethylol heptane；2-hexyl-2-hydroxymethyl-propane-1,3-diol；2-Hexyl-2-hydroxymethyl-propan-1,3-diol；2,2-Bis-hydroxymethyl-octanol-(1)；1,1,1-Tri-hydroxymethyl-hexan；2-Hexyl-2-(hydroxymethyl)propane-1,3-diol
• CAS: 4780-31-8
• 化学式: C₁₀H₂₂O₃
• mdl: MFCD00804636
• 分子量: 190.283
• InChiKey: QERPRBXFYXTKDD-UHFFFAOYSA-N

物化性质

• 熔点：
  68.0-68.8 °C(Solv: benzene (71-43-2))
• 沸点：
  175-180 °C(Press: 10-12 Torr)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-acetoxy-2,2-bis-acetoxymethyl-octane 在 盐酸 、 甲醇 作用下， 生成 1,1,1-trimethylolheptane
  参考文献：
  名称：

  Olsen,S. et al., Justus Liebigs Annalen der Chemie, 1962, vol. 654, p. 198 - 209

  摘要：

  DOI：

文献信息

• CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM
  申请人：Fujiwara Masaki

  公开号：US20110269917A1

  公开（公告）日：2011-11-03

  A one pot method of preparing cyclic carbonyl compounds comprising an active pendant pentafluorophenyl carbonate group is disclosed. The cyclic carbonyl compounds can be polymerized by ring opening methods to form ROP polymers comprising repeat units comprising a side chain pentafluorophenyl carbonate group. Using a suitable nucleophile, the pendant pentafluorophenyl carbonate group can be selectively transformed into a variety of other functional groups before or after the ring opening polymerization.

  公开了一种制备含有活性吊挂五氟苯基碳酸酯基团的环状羰基化合物的一锅法。这些环状羰基化合物可以通过环开启方法聚合，形成包含侧链五氟苯基碳酸酯基团的ROP聚合物重复单元。使用适当的亲核试剂，可以在环开启聚合之前或之后，选择性地将吊挂的五氟苯基碳酸酯基团转化为各种其他功能基团。
• [EN] CYCLIC CARBONYL COMPOUNDS WITH PENDANT PENTAFLUOROPHENYL CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM<br/>[FR] COMPOSÉS CARBONYLÉS CYCLIQUES AVEC GROUPEMENTS PENTAFLUOROPHÉNYLCARBONATE PENDANTS, LEURS SYNTHÈSES ET LEURS POLYMÈRES
  申请人：IBM

  公开号：WO2011135046A1

  公开（公告）日：2011-11-03

  A one pot method of preparing cyclic carbonyl compounds comprising an active pendant pentafluorophenyl carbonate group is disclosed. The cyclic carbonyl compounds can be polymerized by ring opening methods to form ROP polymers comprising repeat units comprising a side chain pentafluorophenyl carbonate group. Using a suitable nucleophile, the pendant pentafluorophenyl carbonate group can be selectively transformed into a variety of other functional groups before or after the ring opening polymerization.

  揭示了一种制备含有活性吊挂五氟苯基碳酸酯基团的环状羰基化合物的一锅法。这些环状羰基化合物可以通过环开启方法聚合，形成包含侧链五氟苯基碳酸酯基团的ROP聚合物重复单元。利用适当的亲核试剂，吊挂的五氟苯基碳酸酯基团可以在环开启聚合之前或之后被选择性地转化为各种其他功能基团。
• POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING THE SAME
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20160083321A1

  公开（公告）日：2016-03-24

  A method for producing a polyol-ether compound, wherein a compound represented by the following formula (1) is subjected to hydrogenation reduction in the presence of a hydrogenation catalyst to obtain a polyol-ether compound having a skeleton represented by the following formula (2): wherein R 1 and R 2 , which may be the same as or different from each other, each represent a linear or branched alkyl group having 1 to 6 carbon atoms; and R 3 represents a linear or branched alkyl group having 1 to 6 carbon atoms or a hydroxymethyl group.

  一种生产聚醚醇化合物的方法，其中在氢化催化剂存在下，将由以下式（1）表示的化合物进行氢化还原，以获得具有以下式（2）表示的骨架的聚醚醇化合物：其中R1和R2，可以相同也可以不同，分别代表具有1至6个碳原子的直链或支链烷基基团；而R3代表具有1至6个碳原子的直链或支链烷基基团或羟甲基基团。
• Method For The Combined Production of Polyols In The Presence Of An Inorganic Base
  申请人：OXEA GmbH

  公开号：US20190241492A1

  公开（公告）日：2019-08-08

  The present invention relates to a process for simultaneously consecutive preparation of polyols by base-catalysed reaction of at least two different mid-chain aldehydes with formaldehyde. The simultaneous consecutive mode of operation makes it possible to achieve high conversions and high selectivities for both aldehydes, with additional achievement of a distinct reduction in the amount of unreacted formaldehyde remaining. This leads to improved process economics, since the energy costs for workup of the formaldehyde stream are distinctly reduced.

  本发明涉及一种通过碱催化反应至少两种不同的中链醛和甲醛同时连续制备多元醇的方法。同时连续的操作方式使得两种醛都能够实现高转化率和高选择性，并且还能显著减少未反应的甲醛量。这导致了工艺经济性的改善，因为处理甲醛流的能量成本明显降低了。
• FLAME RETARDANT COMPOSITIONS UTILIZING AMINO CONDENSATION COMPOUNDS
  申请人：——

  公开号：US20030020054A1

  公开（公告）日：2003-01-30

  Flame retardant compositions of this invention are produced by incorporating a urea-organic compound condensate into a flammable organic material. The urea-organic compounds condensate are produced by heating urea and organic compounds that will condensate with or react with isocyanic add and/or cyanic acid or heating urea first then reacting the condensation compounds with other organic compounds. The urea-organic compound condensate may be mixed with or reacted with carbonization auxiliaries, aldehydes and fillers in produce a urea-organic compound condensate composition which is incorporated in more flammable organic compositions such as polyurethanes, polyester resins, epoxy resins, vinyl resins and other resins. The urea-organic compound condensate salts of phosphorus, boron or sulfur containing compounds and the urea-organic compound condensate-aldehyde resins may also be used as the flame retardant compound in this invention. For example, polyurethane foams can be rendered less flammable with the urea-organic compound condensate or compositions and utilized as insulating materials.

  本发明的阻燃组合物是通过将尿素-有机化合物缩合物混合到易燃有机材料中制成的。尿素-有机化合物缩合物是通过加热尿素和有机化合物来制备的，这些化合物会与异氰酸酯和/或氰酸反应或缩合，或者先加热尿素，然后再将缩合物与其他有机化合物反应。尿素-有机化合物缩合物可以与碳化辅助剂、醛类和填料混合或反应，以制成尿素-有机化合物缩合物组合物，然后将其混合到更易燃的有机组合物中，如聚氨酯、聚酯树脂、环氧树脂、乙烯基树脂和其他树脂。本发明中也可以使用含磷、硼或硫的尿素-有机化合物缩合物盐和尿素-有机化合物缩合物-醛树脂作为阻燃剂。例如，可以使用尿素-有机化合物缩合物或组合物使聚氨酯泡沫变得不易燃，并将其用作绝缘材料。