5-甲基己烷-1,5-二醇 | 1462-11-9

• 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: 5-甲基己烷-1,5-二醇
• 英文名称: 5-methyl-1,5-hexanediol
• 英文别名: 1,1-dimethyl-1,5-pentanediol；5-Methylhexane-1,5-diol
• CAS: 1462-11-9
• 化学式: C₇H₁₆O₂
• mdl: MFCD22054595
• 分子量: 132.203
• InChiKey: LNFDWQCEHXSMLT-UHFFFAOYSA-N

物化性质

• 熔点：
  44.24°C (estimate)
• 沸点：
  233.16°C (rough estimate)
• 密度：
  0.9744 (rough estimate)
• 溶解度：
  可溶于DMSO（水中的溶解度为）、甲醇（微量）

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 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：

  5-甲基己烷-1,5-二醇 以84.3%的产率得到2,2-dimethyltetrahydropyran
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205
• 作为产物：
  描述：

  delta-戊内酯 在 甲基溴化镁 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 以5.57 g (84%)的产率得到5-甲基己烷-1,5-二醇
  参考文献：
  名称：

  7-oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin

  摘要：

  7-氧杂双环庚烷取代前列腺素类似物在治疗血栓性和血管痉挛性疾病中有用，其结构式为##STR1##其中m为1、2或3；n为1、2、3或4；Z为--(CH.sub.2).sub.2 --、--CH.dbd.CH--或##STR2##其中Y为O、单键或乙烯基，但当n为0时，若Z为##STR3##则Y不能为O，Z为--CH.dbd.CH--，n为1、2、3或4；当Y=乙烯基时，n=0；R为CO.sub.2 H、CO.sub.2 较低烷基、CH.sub.2 OH、CO.sub.2 碱金属、CONHSOR.sup.3、CONHR.sup.3a或--CH.sub.2 --5-四唑基，X为O、S或NH；R.sup.1、R.sup.2、R.sup.3和R.sup.3a的定义如本文所述。

  公开号：

  US05100889A1

文献信息

• PROCESS FOR PREPARING AMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION IN THE PRESENCE OF A COMPLEX CATALYST COMPRISING IRIDIUM AND AN AMINO ACID
  申请人：BASF SE

  公开号：US20140046054A1

  公开（公告）日：2014-02-13

  The invention relates to a process for preparing amines (A) by alcohol amination of alcohols (Al) by means of an aminating agent (Am) with elimination of water, wherein the alcohol amination is carried out in the presence of a complex catalyst comprising iridium and an amino acid.

  该发明涉及一种通过醇胺化剂（Am）在消除水的情况下，通过醇（Al）的醇胺化制备胺（A）的过程，其中醇胺化在铱和氨基酸组成的复合催化剂存在下进行。
• [EN] PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE SILODOSIN ET DE NOUVEAUX INTERMÉDIAIRES DE CELUI-CI
  申请人：RANBAXY LAB LTD

  公开号：WO2012014186A1

  公开（公告）日：2012-02-02

  The present invention relates to novel intermediates of silodosin and a process for their preparation. The present invention further relates to a process for the preparation of silodosin using the novel intermediates.

  本发明涉及瑟洛定的新型中间体及其制备方法。本发明还涉及使用这些新型中间体制备瑟洛定的方法。
• [EN] ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES<br/>[FR] DERIVES DE 2-(SULFO-PHENYL)-AMINOTHIAZOLE ANTIPROLIFERATIFS
  申请人：PFIZER

  公开号：WO2004072070A1

  公开（公告）日：2004-08-26

  Aminothiazole compounds substituted with sulfur-containing groups are represented by the Formula (I), and their pharmaceutically acceptable salts, prodrugs, active metabolites, and pharmaceutically acceptable salts of said metabolites are described. These agents modulate and/or inhibit the cell proliferation and activity of protein kinases and are useful as pharmaceuticals for treating malignancies and other disorders.

  含有硫基取代基团的氨基噻唑化合物由化学式(I)表示，并描述了它们的药用可接受盐、前药、活性代谢物以及所述代谢物的药用可接受盐。这些药物调节和/或抑制细胞增殖和蛋白激酶活性，可用作治疗恶性肿瘤和其他疾病的药物。
• Efficient and Selective Cu/Nitroxyl-Catalyzed Methods for Aerobic Oxidative Lactonization of Diols
  作者：Xiaomin Xie、Shannon S. Stahl

  DOI：10.1021/jacs.5b01036

  日期：2015.3.25

  unsymmetrical diols, whereas a Cu/TEMPO catalyst system (TEMPO = 2,2,6,6-tetramethyl-1-piperidinyl-N-oxyl) displays excellent chemo- and regioselectivity for the oxidation of less hindered unsymmetrical diols. These catalyst systems are compatible with all classes of alcohols (benzylic, allylic, aliphatic), mediate efficient lactonization of 1,4-, 1,5-, and some 1,6-diols, and tolerate diverse functional groups

  Cu/硝酰基催化剂已被鉴定为在使用环境空气作为氧化剂的温和反应条件下促进二醇的高效和选择性有氧氧化内酯化。反应的化学选择性和区域选择性可以通过改变硝酰基助催化剂的特性来调节。Cu/ABNO 催化剂体系 (ABNO = 9-氮杂双环 [3.3.1]nonan-N-oxyl) 与对称二醇和受阻不对称二醇表现出优异的反应性，而 Cu/TEMPO 催化剂体系 (TEMPO = 2,2,6, 6-四甲基-1-哌啶基-N-氧基）对受阻较小的不对称二醇的氧化显示出优异的化学和区域选择性。这些催化剂体系与所有类型的醇（苄醇、烯丙基、脂肪醇）相容，介导 1,4-、1,5- 和一些 1,6-二醇的有效内酯化，并耐受不同的官能团，
• Solid-Supported <i>tert</i>-Alkoxycarbonylation Reagents for Anchoring of Amines during Solid Phase Organic Synthesis
  作者：Andrés S. Hernández、John C. Hodges

  DOI：10.1021/jo9700890

  日期：1997.5.1

  The preparation and characterization of a homologous series of solid phase synthesis resins for anchoring amines via a Boc-like linker are described. The scope and limitations of these resins are explored with respect to procedures for attachment and cleavage of a variety of primary amines, secondary amines, and alpha-amino esters.

  描述了通过Boc样连接基锚定胺的一系列固相合成树脂的同源系列的制备和表征。关于各种伯胺，仲胺和α-氨基酯的连接和裂解方法，探索了这些树脂的范围和局限性。