3-甲基己烷-1,3-二醇 | 179695-10-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-甲基己烷-1,3-二醇
• 英文名称: 3-Methylhexan-1,3-diol
• 英文别名: 3-Methylhexane-1,3-diol
• CAS: 179695-10-4
• 化学式: C₇H₁₆O₂
• 分子量: 132.203
• InChiKey: RPMYTAWDAZFCBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 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：

  3-甲基己烷-1,3-二醇 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 亚碘酰苯 、 ytterbium(III) triflate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以71%的产率得到3-Hydroxy-3-methylhexanal
  参考文献：
  名称：

  Yb(OTf)₃-Catalyzed Oxidation of Alcohols with Iodosylbenzene Mediated by TEMPO

  摘要：

  描述了一种使用催化量的TEMPO和Yb(OTf)3，以及计量量的碘苯 (PhIO) 对初级和二级醇进行快速氧化的方法。该方法在室温或更高温度下进行，可高效得到羰基化合物，而不会过氧化为羧酸。初级醇在存在二级醇的情况下进行氧化，选择性良好。

  DOI：

  10.1055/s-2006-948181
• 作为产物：
  描述：

  4-羟基-2-丁酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 magnesium 作用下， 以50%的产率得到3-甲基己烷-1,3-二醇
  参考文献：
  名称：

  Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase

  摘要：

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.033

文献信息

• One-pot selective oxidation/olefination of primary alcohols using TEMPO–BAIB system and stabilized phosphorus ylides
  作者：Jean-Michel Vatèle

  DOI：10.1016/j.tetlet.2005.11.100

  日期：2006.1

  A one-pot process for the synthesis of α,β-unsaturated esters from a variety of alcohols, obtained in good yields and diastereoselectivities, is described. The use of BAIB/TEMPO system at the oxidizing step authorizes the chemoselective homologation of primary alcohols in the presence of secondary ones.

  描述了一种由多种醇合成α，β-不饱和酯的一锅法，该方法具有良好的收率和非对映选择性。在氧化步骤中使用BAIB / TEMPO系统可在存在仲醇的情况下授权伯醇的化学选择性同系物。
• METHOD FOR PRODUCING (METH) ACRYLATE ESTER COMPOUNDS
  申请人：KURARAY CO., LTD.

  公开号：US20180050975A1

  公开（公告）日：2018-02-22

  An object of the invention is to provide a method for producing a (meth)acrylate ester compound by the transesterification of an alkyl (meth)acrylate with an alcohol compound having a tertiary hydroxyl group so as to esterify all the hydroxyl groups present in the alcohol compound with a high yield or, in a preferred embodiment, a method for esterifying a polyhydric alcohol compound having a tertiary hydroxyl group and also having a primary hydroxyl group and/or a secondary hydroxyl group by one-pot transesterification into a (meth)acrylate ester compound of the polyhydric alcohol. The method for producing a (meth)acrylate ester compound includes a step (I) of transesterifying an alkyl (meth)acrylate with an alcohol compound having a tertiary hydroxyl group using a transesterification catalyst including a complex of iron with a specific ligand, the water content in the transesterification reaction system being not more than 1000 ppm.

  发明的目的是提供一种通过烷基（甲基）丙烯酸酯与具有三级羟基的醇化合物的酯交换反应来酯化醇化合物中所有羟基的高收率的制备（甲基）丙烯酸酯化合物的方法，或者在一种首选实施方式中，提供一种通过一锅法酯交换反应将具有三级羟基和一级羟基和/或二级羟基的多羟醇化合物酯化为多羟醇的（甲基）丙烯酸酯化合物的方法。生产（甲基）丙烯酸酯化合物的方法包括以下步骤：（I）使用铁与特定配体形成的酯交换催化剂将烷基（甲基）丙烯酸酯与具有三级羟基的醇化合物进行酯交换反应，酯交换反应体系中的水含量不超过1000 ppm。
• Concentrated, stable, translucent or clear, fabric softening compositions including chelants
  申请人：Wahl Hoffman Errol

  公开号：US20050202998A1

  公开（公告）日：2005-09-15

  Clear or translucent fabric softening compositions having a biodegradable fabric softening active and an added chelating agent are disclosed. The biodegradable fabric softening active preferably has the formula: wherein each R substituent is hydrogen or a short chain C 1 -C 6 , preferably C 1 -C 3 alkyl or hydroxyalkyl group, e.g., methyl (most preferred), ethyl, propyl, hydroxyethyl, and the like, benzyl, or mixtures thereof; each m is 2 or 3; each n is from 1 to about 4, preferably 2; each Y is —O—(O)C—, —(R)N—(O)C—, —C(O)—N(R)—, or —C(O)—O—, preferably —O—(O)C—; the sum of carbons in each R 1 , plus one when Y is —O—(O)C— or —(R)N—(O)—, is C 6 -C 22 , preferably C 12-22 , more preferably C 14 -C 20 , but no more than one R 1 or YR 1 sum being less than about 12 and then the other R 1 or YR 1 sum is at least about 16, with each R 1 being a long chain C 5 -C 21 (or C 6 -C 22 ), preferably C 9 -C 19 (or C 9 -C 20 ), most preferably C 11 -C 17 (or C 12 -C 18 ), straight, branched, unsaturated or polyunsatruated alkyl, the average Iodine Value of the parent fatty acid of the R 1 being from about 20 to about 140. The chelating agent is preferably diaminetriaminepentaacetic acid. The compositions display excellant clarity with a percentage haze in the transmission mode of a Hunter Color analysis of less than 90%, preferably less than 50%.

  本文揭示了具有可生物降解织物柔软活性剂和添加螯合剂的透明或半透明织物柔软组合物。可生物降解织物柔软活性剂优选具有以下公式： 其中，每个R取代基是氢或短链C1-C6，优选是C1-C3烷基或羟基烷基，例如，甲基（最优选），乙基，丙基，羟乙基等，苯甲基或其混合物；每个m为2或3；每个n为1至约4，优选为2；每个Y为—O—（O）C—，—（R）N—（O）C—，—C（O）—N（R）—或—C（O）—O—，优选为—O—（O）C—；当Y为—O—（O）C—或—（R）N—（O）—时，每个R1中碳的总数加一为C6-C22，优选为C12-22，更优选为C14-C20，但不超过一个R1或YR1总和小于约12，然后另一个R1或YR1总和至少约为16，每个R1为长链C5-C21（或C6-C22），优选为C9-C19（或C9-C20），最优选为C11-C17（或C12-C18），直链、支链、不饱和或多不饱和烷基，R1的父脂肪酸的平均碘值约为20至约140。螯合剂优选为二氨基三乙酸五钠盐。该组合物在Hunter Color分析的透射模式下具有出色的清晰度，其百分之雾度小于90％，优选小于50％。
• Concentrated, stable, preferably clear, fabric softening composition
  申请人：Trinh Toan

  公开号：US20060058216A1

  公开（公告）日：2006-03-16

  Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.

  本发明揭示了主要溶剂，特别是具有ClogP约为0.15至约0.64，优选为约0.25至约0.62，更优选为约0.40至约0.60的单醇和双醇主要溶剂，具有制备含有长链疏水基中酯键的相对高浓度织物柔顺剂活性成分的清澈水性织物柔顺剂组合物的能力。织物柔顺剂活性成分可以是不饱和的，也可以具有中等长度的链（约C12-14），所述主要溶剂的使用水平小于约40％。其他溶剂可以存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔顺剂活性成分、主要溶剂和可选的其他溶剂的预混物在制备完整配方时是有用的，因为它们可以避免/限制加热的需要。
• Composition for forming titanium-containing resist underlayer film and patterning process
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US09176382B2

  公开（公告）日：2015-11-03

  The invention provides a composition for forming a titanium-containing underlayer film comprising: as a component (A), a titanium-containing compound obtained by reacting a divalent or a trivalent alcohol represented by the following general formula (A-2) to one or more kinds of compounds selected from a titanium compound represented by the following general formula (A-1) and a titanium-containing compound obtained by hydrolysis and/or condensation of the titanium compound and as a component (C), solvent. There can be provided a composition for forming a titanium-containing underlayer film that is excellent in storage stability without changes in characteristics, pattern adhesiveness relative to a fine pattern, and etching selectivity relative to conventional organic film and silicon-containing film. Ti(OR1A)4  (A-1) R2A(OH)2  (A-2)

  该发明提供了一种用于形成含钛底层膜的组合物，包括：作为组分（A），通过将下述一般式（A-2）表示的二价或三价醇与下述一般式（A-1）表示的钛化合物之一或钛化合物的水解和/或缩聚产物中的一种或多种化合物反应而获得的含钛化合物；以及作为组分（C）的溶剂。可以提供一种形成含钛底层膜的组合物，其在储存稳定性、特性变化、与细微图案的附着性以及相对于传统有机膜和含硅膜的蚀刻选择性方面表现出色。Ti（OR1A）4（A-1）R2A（OH）2（A-2）