戊烷-3,3-二醇 | 151331-32-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 戊烷-3,3-二醇
• 英文名称: pinacol
• 英文别名: 2,2-dimethyl 1,3-propanediol；3,3-dimethoxypentane；neopentylglycol；ethylpropanediol；Pentane-3,3-diol
• CAS: 151331-32-7
• 化学式: C₅H₁₂O₂
• 分子量: 104.149
• InChiKey: LMSZCVVFFIXEKO-UHFFFAOYSA-N

物化性质

• 沸点：
  158.2±8.0 °C(Predicted)
• 密度：
  0.981±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  7
• 可旋转键数：
  2
• 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：

  戊烷-3,3-二醇 在 六氯环三磷腈 、 caesium carbonate 作用下， 以 丙酮 为溶剂， 生成 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene
  参考文献：
  名称：

  2-Hydroxyanthraquinone substituted cyclotriphosphazenes: Synthesis and cytotoxic activities in cancer cell lines

  摘要：

  Scientists continue to synthesize substances that have cytotoxic effects and examine their properties to overcome cancer for a long time. This study is aimed at preparing novel cyclotriphosphazene derivatives and examining their anti-cancer effects. For this purpose, the nucleophilic substitution reactions of 2,2-dimethyl 1,3-propanedioxy substituted cyclotriphosphazenes (3-5) with 2-hydroxyanthraquinone (6) were performed in the presence of cesium carbonate in acetone. Three novel anthraquinone substituted cyclotriphosphazenes (7-9) were obtained from these reactions. The molecular structures of the compounds (7-9) were characterized by MALDI-TOF MS, NMR (P-31 and H-1) and FT-IR spectroscopies. The cytotoxic activities of 2,2-dimethyl 1,3-propanedioxy and anthraquinone substituted cyclotriphosphazenes were investigated. We applied MTT assay to specify whether the all compounds are cytotoxic in the cancer cell lines (MCF-7 / DLD-1) and two non-cancerous cell lines (MCF-12A/CCD-18Co). All cells were incubated with (2.5-40 mu M) concentrations of the compounds for 24 h. The compound 3 and 9 were found to be highly effective against breast cancer and compound 4 was highly effective against colon cancer.

  DOI：

  10.1016/j.ica.2020.120005
• 作为产物：
  描述：

  3-甲基戊烷 在 过氧乙酸 、 sodium azide 、 4-碘甲苯 、 碘 、 溶剂黄146 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以13.043%的产率得到
  参考文献：
  名称：

  饱和烃的 选择性无过渡金属邻位顺式-二羟基化†

  摘要：

  已经开发了在环境反应条件下饱和烃的无过渡金属的顺式-二羟基化。所描述的方法允许邻位二醇的直接和选择性合成。因此，新反应通过自由基碘化和一系列氧化步骤进行。广泛范围的一锅双C（sp 3）– H键功能化的邻位合成二醇的选择性合成。

  DOI：

  10.1039/c6sc03055f

文献信息

• Catalytic asymmetric epoxidation
  申请人：——

  公开号：US06348608B1

  公开（公告）日：2002-02-19

  A compound and method for producing an enantiomerically enriched epoxide from an olefin using a chiral ketone and an oxidizing agent is disclosed.

  一种化合物及其生产方法被披露，该方法使用手性酮和氧化剂从烯烃生产具有对映体富集的环氧乙烷。
• Predicting the Structure of Supramolecular Dendrimers via the Analysis of Libraries of AB₃ and Constitutional Isomeric AB₂ Biphenylpropyl Ether Self-Assembling Dendrons
  作者：Brad M. Rosen、Daniela A. Wilson、Christopher J. Wilson、Mihai Peterca、Betty C. Won、Chenghong Huang、Linda R. Lipski、Xiangbing Zeng、Goran Ungar、Paul A. Heiney、Virgil Percec

  DOI：10.1021/ja907882n

  日期：2009.12.2

  large hollow spheres that is dictated by the primary structure of the dendron. The comparative analysis of libraries of biphenylpropyl ether dendrons with the previously reported libraries of benzyl-, phenylpropyl-, and biphenyl-4-methyl ether dendrons demonstrated biomimetic self-assembly wherein the primary structure of the dendron and to a lesser extent the structure of its repeat unit determines the

  4'-hydroxy-4-biphenylpropionic, 3',4'-dihydroxy-4-biphenylpropionic, 3',5'-dihydroxy-4-biphenylpropionic, and 3',4',5'-trihydroxy-4-的合成联苯丙酸甲酯通过三种有效和模块化的策略，包括一种基于镍催化硼化和顺序交叉偶联的策略。这些构件被用于合成一个 3,4,5-三取代的文库和两个结构异构的 3,4-和 3,5-二取代联苯丙基醚树突的文库的收敛迭代方法。超分子树枝状大分子的结构和逆向结构分析表明，联苯丙基醚树枝状分子自组装和自组织成与先前报道的库中观察到的相同的周期性晶格和准周期性阵列，但具有更大的尺寸，不同的自组装机制，以及改善的溶解性、热稳定性、酸稳定性和氧化稳定性。自组装的不同机制导致发现了两种新的超分子结构。第一个代表具有四层重复的新香蕉状层状晶体。第二个是一个巨大的囊泡球体，由
• Alternative syntheses of bridgehead polycyclic 1,2-diamines and 2-aminoalcohols from di- and mono-oximes of some bicyclic diketones: Highly improved synthesis of tricyclo[3.3.1.03,7]nonane-3,7-diamine
  作者：Pelayo Camps、Diego Muñoz-Torrero

  DOI：10.1016/s0040-4039(00)76863-8

  日期：1994.5

  Bridgehead polycyclic 1,2-diamines 4a and 4b have been obtained from dioximes 2a and 2b, respectively, by two alternative procedures: a) m-chloroperbenzoic acid oxidative coupling to 3a and 3b, followed by reduction with aluminum amalgam, and b) reductive coupling with aluminum amalgam. Similarly, the related 2-aminoalcohols 9a and 9b have been obtained from the corresponding monooximes 7a and 7b.

  通过两种替代方法分别从二肟2a和2b获得桥头多环1,2-二胺4a和4b：a）间氯过苯甲酸氧化偶联至3a和3b，然后用铝汞齐还原，和b）还原性与铝汞合金耦合。类似地，已经从相应的单肟7a和7b获得了相关的2-氨基醇9a和9b。
• Difluoromethyl compounds
  申请人：Merck Patent Gesellschaft Mit Beschrankter Haftung

  公开号：US05389292A1

  公开（公告）日：1995-02-14

  Compounds of the formula I R--(A.sup.1 -A.sup.1).sub.m --A.sup.2 --Q--CHF.sub.2 I in which R, A.sup.1, Z.sup.1, m, A.sup.2 and Q have the meaning given in Patent Claim 1 are suitable as components of liquid-crystalline media.

  公式I R--(A.sup.1 -A.sup.1).sub.m --A.sup.2 --Q--CHF.sub.2 I 中的化合物，其中R，A.sup.1，Z.sup.1，m，A.sup.2和Q的含义如专利权要求书1所述，适用作液晶介质的组分。
• Fluorinated liquid crystal compounds and liquid crystal medium
  申请人：Merck Patent Gesellschaft Mit Beschrankter Haftung

  公开号：US05536442A1

  公开（公告）日：1996-07-16

  The invention relates to liquid crystal compounds having a terminal structure in accordance with formula 1, 2, 3 or 4: --A.sup.3 --OCF.sub.3 1 --A.sup.2 --Q--CHF.sub.2 2 --3,5-difluoro-1,4-phenylene-X.sup.1 3 --3-fluoro-1,4-phenylene-X.sup.2 4 wherein A.sup.2, A.sup.3, X.sup.1 and X.sup.2 and are defined herein. The invention further relates liquid crystal phases containing the above components as well as electrooptical displays containing same.

  该发明涉及具有符合式1、2、3或4的末端结构的液晶化合物：--A.sup.3 --OCF.sub.3 1 --A.sup.2 --Q--CHF.sub.2 2 --3,5-二氟-1,4-苯撑基-X.sup.1 3 --3-氟-1,4-苯撑基-X.sup.2 4 其中A.sup.2、A.sup.3、X.sup.1和X.sup.2在此定义。该发明还涉及含有上述组分的液晶相以及包含相同组分的电光显示器。