6-庚烯-2,4-二醇 | 19781-76-1

• 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: 6-庚烯-2,4-二醇
• 英文名称: 1-hepten-4,6-diol
• 英文别名: 6-heptene-2,4-diol；hept-6-ene-2,4-diol
• CAS: 19781-76-1
• 化学式: C₇H₁₄O₂
• mdl: MFCD00046656
• 分子量: 130.187
• InChiKey: IKSZUZSICAXOHV-UHFFFAOYSA-N

物化性质

• 保留指数：
  927

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2905399090

反应信息

• 作为反应物：
  描述：

  6-庚烯-2,4-二醇 、 苯磺酰氯 反应 8.0h， 生成
  参考文献：
  名称：

  用于制备烯烃聚合催化剂的二元磺酸酯化合 物

  摘要：

  本发明涉及一种具有下述通式(Ⅰ)所示的用于制备烯烃聚合催化剂的二元磺酸酯化合物。其中，A、B为碳或选自氮、氧、硫、硅、硼、磷的杂原子，R1‑R6、R1‑R2n基团为相同或不相同的氢、卤素或取代或未取代的直链或支链的C1‑C20的烷基、C3‑C20环烷基、C6‑C20芳基、C7‑C20芳烷基或烷芳基、C2‑C20烯烃基、C6‑C20稠环芳基、C1‑C20酯基，R1和R2不是氢，R3‑R6及R1‑R2n基团上任意包含一个或几个杂原子作为碳或氢原子或两者的取代物，所述的杂原子选自氮、氧、硫、硅、硼、磷或卤原子，R3‑R6及R1‑R2n基团中的一个或多个可以连起来成环；n为0‑10的整数。

  公开号：

  CN105712909B
• 作为产物：
  描述：

  6-(tert-Butyl-dimethyl-silanyloxy)-hept-1-en-4-ol 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 6-庚烯-2,4-二醇
  参考文献：
  名称：

  Addition of Allylindium Reagents to Aldehydes Substituted at C_α or C_β with Heteroatomic Functional Groups. Analysis of the Modulation in Diastereoselectivity Attainable in Aqueous, Organic, and Mixed Solvent Systems

  摘要：

  The stereochemical course of indium-promoted allylations to alpha- and beta-oxy aldehydes has been investigated in solvents ranging from anhydrous THF to pure H2O. The free hydroxyl derivatives react with excellent diastereofacial control to give significantly heightened levels of syn-1,2-diols and anti-1,3-diols. Relative reactivities were determined in the alpha-series, and the hydroxy aldehyde proved to be the most reactive substrate. This reactivity ordering suggests that the selectivity stems from chelated intermediates. The rate acceleration observed in water can be heightened by initial acidification. Indeed, the indium-promoted allylation reaction mixtures become increasingly acidic on their own. Preliminary attention has been accorded to salt effects, and tetraethylammonium bromide was found to exhibit a positive synergistic effect on product distribution. Finally, mechanistic considerations are presented in order to allow for assessment of the status of these unprecedented developments at this stage of advancement of the field.

  DOI：

  10.1021/ja953682c

文献信息

• Allylic organometallic way to control acyclic stereochemistry and its application to the synthesis of carbohydrates
  作者：Yoshinori Yamamoto、Toshiaki Komatsu、Kazuhiro Maruyama

  DOI：10.1016/0022-328x(85)87354-x

  日期：1985.4

  The Cram/anti-Cram selectivity in the reactions of allylmetals with aldehydes and the erythro/threo selectivity in the reactions of substituted allylic organometallic compounds with other aldehydes can be controlled by the metal (M). Based on both selectivities, we can predict the diastereofacial selectivity of more complex systems. Finally, 1-O-methyl-2,6-dideoxyhexose and 1-O,3-O-dimethyl-4,6-dideoxyhexose

  烯丙基金属与醛的反应中的Cram / anti-Cram选择性和取代的烯丙基有机金属化合物与其他醛的反应中的赤/苏选择性可以通过金属（M）控制。基于这两种选择性，我们可以预测更复杂系统的非对面选择性。最后，制备1-O-甲基-2,6-二脱氧己糖和1-O，3-O-二甲基-4,6-二脱氧己糖。
• Diastereoselective Nucleophilic Substitution Reactions of Oxasilacyclopentane Acetals:  Application of the “Inside Attack” Model for Reactions of Five-Membered Ring Oxocarbenium Ions
  作者：Teresa J. Bear、Jared T. Shaw、K. A. Woerpel

  DOI：10.1021/jo010823m

  日期：2002.4.1

  The additions of nucleophiles to oxocarbenium ions derived from oxasilacyclopentane acetates proceeded with high diastereoselectivity in most cases. Sterically demanding nucleophiles such as the silyl enol ether of diethyl ketone add to the face opposite the C-2 substituent. These reactions establish the syn stereochemistry about the newly formed carbon-carbon bond. Small nucleophiles such as allyltrimethylsilane

  在大多数情况下，将亲核试剂添加到由氧杂硅环戊烷乙酸酯衍生的氧碳鎓离子上时，非对映选择性很高。立体要求高的亲核试剂，例如二乙基酮的甲硅烷基烯醇醚，与C-2取代基相对。这些反应建立了关于新形成的碳-碳键的顺式立体化学。小亲核试剂（例如烯丙基三甲基硅烷）没有显示出相同的立体化学偏好：它们从与C-2-取代的氧碳鎓离子中的取代基相同的面添加。小和大亲核试剂都表现出的立体选择性可以通过应用“内部攻击”模型（先前开发用于四氢呋喃衍生的阳离子的五元环氧碳鎓离子）来理解。这种立体电子模型需要从阳离子表面进攻亲核试剂，从而以较低的能量交错构象提供产物。小型亲核试剂增加了氧碳鎓离子的低能基态构象异构体的“内部”。相反，空间要求高的亲核试剂会添加到包膜构象异构体的内部，而无论基态构象异构体的数量如何，该方法都与氧碳鎓离子的C-2取代基相反。
• Tetrahydropyran synthesis by palladium(II)-catalysed hydroxycarbonylation of hexenols: synthesis of (±)-diospongin A and (+)-civet cat compound
  作者：Ol'ga Karlubíková、Matej Babjak、Tibor Gracza

  DOI：10.1016/j.tet.2011.04.045

  日期：2011.7

  domino Pd-cyclisation/carbonylation/hydroxylation of (2S)-hept-6-en-2-ol 15 and O-TBDPS protected 1-phenylhex-5-en-1,3-diol 12, respectively, was used as a key step in the total syntheses of two natural products, civet cat (+)-2-[(2S,6S)-(6-methyltetrahydro-2H-pyran-2-yl)] acetic acid 1 and diospongin A 2. Moreover, an efficient synthesis of 2 using a multi Pd-cyclisation/carbonylation/cross-coupling transformation

  基于钯（II）催化己烯醇的分子内羟羰基化，已经开发了2,6-顺-四氢吡喃基乙酸的非对映选择性合成。（2S）-hept-6-en-2-ol 15和O -TBDPS保护的1-phenylhex-5-en-1,3-diol 12的多米诺Pd环化/羰基化/羟基化分别用作灵猫（+）-2-[（2 S，6 S）-（6-甲基四氢-2 H-吡喃-2-基）]乙酸1和双皂苷A两种天然产物的总合成中的关键步骤2。而且，有效合成2 使用多Pd环化/羰基化/交叉偶联转化已经实现。
• NOVEL COMPOUNDS, FUNCTIONALISED DIOXABOROLANE OR DIOXABORINANE DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF
  申请人：ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS

  公开号：US20200231605A1

  公开（公告）日：2020-07-23

  The invention relates to functionalised dioxaborolane or dioxaborinane derivatives of formula (I), wherein R 1 is covalently bonded to the boron atom by a carbon atom; one of R 2 , R 3 , R′ 3 or R 4 is a radical of formula —X; or one of R 1 , R 2 , R 3 , R′ 3 or R 4 is a radical of formula —X; and X is a functionalised radical. The invention relates to the method for preparing same and the uses thereof.

  该发明涉及公式（I）的功能化二氧硼杂环烷或二氧硼杂环丁烷衍生物，其中R1通过一个碳原子与硼原子共价结合；R2、R3、R′3或R4中的一个是公式—X的基团；或者R1、R2、R3、R′3或R4中的一个是公式—X的基团；X是一个功能化基团。该发明涉及制备该类化合物的方法及其用途。
• Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050239636A1

  公开（公告）日：2005-10-27

  The present invention provides a solid catalyst component for the polymerization of olefins, comprising magnesium, titanium, a halogen and an electron donor, wherein said electron donor comprises at least one selected from the group consisting of polyol ester compounds of the formula (I): R 1 CO—O—CR 3 R 4 -A-CR 5 R 6 —O—CO—R 2 (I) wherein, R 1 and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on above-mentioned bivalent linking group and substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring.

  本发明提供了一种用于烯烃聚合的固体催化剂组分，包括镁、钛、卤素和电子给体，其中所述电子给体包括以下至少一种选择自聚醇酯化合物组的化合物（I）：R1CO—O—CR3R4-A-CR5R6—O—CO—R2（I）其中，R1和R2基团可以相同或不同，可以是取代或未取代的1至20个碳原子的烃基，R3-R6基团可以相同或不同，可以选择自氢、卤素或取代或未取代的1至20个碳原子的烃基的群组中，R1-R6基团可以选用一个或多个杂原子代替碳、氢原子或两者，所述杂原子选择自氮、氧、硫、硅、磷和卤素原子的群组，R3-R6基团中的两个或更多个可以连接形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，链长在两个自由基之间为1-10个原子，其中所述双价连接基团选自脂肪族、环脂族和芳香族双价基团的群组，可以携带C1-C20线性或支链取代基；上述双价连接基团和取代基上的一个或多个碳原子和/或氢原子可以被选择自氮、氧、硫、硅、磷和卤素原子的群组中的杂原子取代，两个或更多所述取代基在连接基团上以及上述R3-R6基团中可以连接形成饱和或不饱和的单环或多环环。