2,5-dimethyl-2,5-hexanediol | 3899-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-dimethyl-2,5-hexanediol
• 英文别名: 2,5-Dimethylhexan-2,4-diol；(+/-)-2,5-Dimethyl-hexan-2,5-diol；2,5-dimethyl-hexane-2,4-diol；2,5-Dimethyl-2,4-hexanediol；2,5-dimethylhexane-2,4-diol
• CAS: 3899-89-6
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: JANSZBDMCKVQEK-UHFFFAOYSA-N

物化性质

• 沸点：
  81-82 °C(Press: 6 Torr)
• 密度：
  0.9172 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  3
• 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：

  2,5-dimethyl-2,5-hexanediol 、 特丁基对苯二酚 在 Amberlyst 15 作用下， 以 正庚烷 为溶剂， 以52%的产率得到7-tert-Butyl-4-isopropyl-2,2-dimethyl-chroman-6-ol
  参考文献：
  名称：

  Eubanks, J. R. I.; Pacifici, J. G., Synthetic Communications, 1987, vol. 17, # 7, p. 829 - 836

  摘要：

  DOI：
• 作为产物：
  描述：

  在 silver carbonate 、 溶剂黄146 、 potassium carbonate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 以40.7 mg的产率得到(2-bromo-2,5-dimethylhexan-3-yl) N-(2,2,2-trifluoroethyl)carbamate
  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

• PROCESS FOR PREPARATION OF CARBAPENEM ANTIBIOTICS
  申请人：Eisai Co., Ltd.

  公开号：EP1426376A1

  公开（公告）日：2004-06-09

  A process for the preparation of carbapenem antibiotics, which is free from the two disadvantages: (1) use of column chromatography and (2) recovery of a difficulty soluble salt and by which the objective compounds can be efficiently prepared in a short period. Specifically, a process for the preparation of compounds represented by the general formula (IV), salts thereof, or hydrates of both, characterized by reacting a compound represented by the general formula (I) with a compound represented by the general formula (II): X-H (wherein X is a member selected from the group consisting of substituents represented by the formulae (X-1) to (X-8)) to thereby obtain a compound represented by the general formula (III) or salt thereof, converting the compound (III) or salt thereof into a compound represented by the general formula (IV) or a salt thereof through the removal of the protecting group (R3), and purifying the compound (IV) or salt thereof by crystallization.

  一种制备碳青霉烯类抗生素的方法，该方法没有以下两个缺点：(1)使用柱层析和(2)回收难溶性盐，通过该方法可以在短时间内高效地制备目标化合物。具体而言，这是一种制备由通用公式(IV)表示的化合物、其盐或两者的水合物的方法，其特征在于将通用公式(I)表示的化合物与通用公式(II)：X-H（其中X是由公式(X-1)至(X-8)表示的取代基中选择的一个成员）表示的化合物反应，从而获得由通用公式(III)表示的化合物或其盐，通过去除保护基(R3)将化合物(III)或其盐转化为由通用公式(IV)表示的化合物或其盐，并通过结晶纯化化合物(IV)或其盐。
• A Direct CC Cross-Coupling of Alcohols at the β-Position with Aldehydes under Co-Promotion of Tris(triphenylphosphine)rhodium Chloride/Boron Trifuoride Etherate
  作者：Shu-Yu Zhang、Yong-Qiang Tu、Chun-An Fan、Yi-Jun Jiang、Lei Shi、Ke Cao

  DOI：10.1002/adsc.200800416

  日期：2008.10.6

  The novel tris(triphenylphosphine)rhodium chloride/boron trifuoride etherate [RhCl(PPh3)3/BF3⋅OEt2] co-promoted the CC cross-coupling of tertiary alcohols at the β-position with aldehydes. This reaction provides an efficient synthesis of either structurally diverse 1,3-diols or polysubstituted tetrahydropyrans by controlling the substrate structures, and it could be developed to a practical synthetic

  新颖的三（三苯基膦）氯化铑/硼合乙醚trifuoride [的RhCl（PPH 3）3 / BF 3 ⋅OEt 2 ]共同促进的CC在β叔醇的交叉偶联-与醛位置。通过控制底物结构，该反应可提供结构多样的1,3-二醇或多取代的四氢吡喃的有效合成方法，并且可将其开发为多种天然产物和重要医学化合物的实用合成方法。
• VARIATIONS ON PRINS-LIKE CHEMISTRY TO PRODUCE 2,5-DIMETHYLHEXADIENE FROM ISOBUTANOL
  申请人：Taylor Thomas Jackson

  公开号：US20120271082A1

  公开（公告）日：2012-10-25

  The method of the present invention provides a high yield pathway to 2,5-dimethylhexadiene from renewable isobutanol, which enables economic production of renewable p-xylene (and subsequently, terephthalic acid, a key monomer in the production of PET) from isobutanol. In addition, the present invention provides methods for producing 2,5-dimethylhexadiene from a variety of feed stocks that can act as “equivalents” of isobutylene and/or isobutyraldehyde including isobutanol, isobutylene oxide, and isobutyl ethers and acetals. Catalysts employed in the present methods that produce 2,5-dimethylhexadiene can also catalyze alcohol dehydration, alcohol oxidation, epoxide rearrangement, and ether and acetal cleavage.

  本发明的方法提供了一种从可再生异丁醇到2,5-二甲基己二烯的高产率途径，从而实现了从异丁醇经济生产可再生对二甲苯（随后是对苯二甲酸，PET生产中的关键单体）的方法。此外，本发明提供了一种从各种可以充当异丁烯和/或异丁醛“等效物”的原料中生产2,5-二甲基己二烯的方法，包括异丁醇、异丁烯氧化物和异丁基醚和缩醛。本方法中使用的催化剂不仅可以产生2,5-二甲基己二烯，还可以催化醇脱水、醇氧化、环氧化物重排、醚和缩醛裂解。
• Method For The Production Of Conjugated Polyunsaturated Fatty Acids With Heterogenous Catalysts
  申请人：Geboers Jan

  公开号：US20130245299A1

  公开（公告）日：2013-09-19

  The present invention relates to an improved process for the production of conjugated polyunsaturated fatty acids (PUFA), preferably conjugated linoleic acid (CLA), using finely dispersed heterogeneous metal catalysts on a mesoporous support, in the absence of Hg. The present invention also relates to a method to increase the large microporosity and (optionally) the small mesoporosity of a zeolite, thus obtaining a modified zeolite having a large and highly accessible internal surface.

  本发明涉及一种改进的工艺，用于生产共轭多不饱和脂肪酸（PUFA），优选共轭亚油酸（CLA），使用细分散的异质金属催化剂在介孔支撑物上，在无汞的情况下。本发明还涉及一种增加沸石的大微孔度和（可选地）小介孔度的方法，从而获得具有大而高度可访问内部表面的改性沸石。
• 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％。