5,5-dimethoxypentan-1-ol | 79898-65-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5-dimethoxypentan-1-ol
• 英文别名: 5-hydroxy-valeraldehyde dimethylacetal；5,5-dimethoxy-pentanol
• CAS: 79898-65-0
• 化学式: C₇H₁₆O₃
• 分子量: 148.202
• InChiKey: AMANFDKDJJCNPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,5-dimethoxypentan-1-ol 在 吡啶 、 lithium bromide 作用下， 以 丙酮 为溶剂， 反应 4.5h， 生成 5-bromopentanal dimethyl acetal
  参考文献：
  名称：

  Domino imine condensation/intramolecular polar [4?+ + 2?]-cycloaddition of anilines and ?-unsaturated aldehydes: A versatile tool for the highly diastereoselective synthesis of 1,2,3,4,4a,9,9a,10-octahydroacridines

  摘要：

  The highly diastereoselective synthesis of substituted 1,2,3,4,4a,9,9a,10-octahydroacridines 7, 8 with five stereogenic centers has been achieved by domino imine condensation/intramolecular polar [4 pi(+)+2 pi]-cycloaddition of anilines 3 and omega-unsaturated aldehydes 4. The transformations which can be performed under mild reaction conditions using 0.3 eq. BF3 . Et(2)O as a Lewis acid give the cycloadducts 7, 8 with yields ranging from 63-76%. The relative configuration of 7, 8 was assigned by H-1- and C-13-NMR spectroscopy. For 7a, an X-ray crystal structure analysis was obtained. Experimental as well as semiempirical results support a polar [4 pi(+) + 2 pi]-cycloaddition under kinetic control. It is assumed that the diastereoselectivity of the process is governed by decalin-like exo-E-anti-transition state structures 24, 25 with equatorial arrangement of the bulky substituents R(2).

  DOI：

  10.1002/prac.19963380189
• 作为产物：
  描述：

  5,5-dimethoxypent-1-ene 在 双氧水 、 diborane(6) 作用下， 生成 5,5-dimethoxypentan-1-ol
  参考文献：
  名称：

  Stereochemical control in the intramolecular Diels-Alder reaction. 2. Structural and electronic effects on reactivity and selectivity

  摘要：

  DOI：

  10.1021/ja00368a020

文献信息

• Benzopyran or thiobenzopyran derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06645951B1

  公开（公告）日：2003-11-11

  The present invention provides novel benzopyran compounds, pharmaceutically acceptable salts thereof and stereoisomers thereof where the benzopyran compounds of the invention are compounds according to Formula I: The present invention further provides pharmaceutical compositions which possess anti-estrogenic activity and comprise at least one benzopyran compound of the invention and a method of treating breast cancer by administration of an effective amount of a benzopyran compound provided by the present invention.

  本发明提供了新颖的苯并吡喃化合物，其药学上可接受的盐及其立体异构体，其中本发明的苯并吡喃化合物是根据式I的化合物：本发明还提供了具有抗雌激素活性的药物组合物，包括本发明的至少一种苯并吡喃化合物，并通过给予本发明提供的苯并吡喃化合物的有效量来治疗乳腺癌的方法。
• Catalytic Intramolecular Conjugate Additions of Aldehyde-Derived Enamines to α,β-Unsaturated Esters
  作者：Zebediah C. Girvin、Philip P. Lampkin、Xinyu Liu、Samuel H. Gellman

  DOI：10.1021/acs.orglett.0c01666

  日期：2020.6.5

  enamines to α,β-unsaturated esters. Despite extensive prior exploration of conjugate additions of aldehyde-derived enamines, catalytic conjugate additions to unactivated enoate esters are unprecedented. Achieving enantioselective and diastereoselective six-membered ring formation requires the coordinated action of a chiral pyrrolidine, for nucleophilic activation of the aldehyde via enamine formation, and

  我们报告了一对已知的催化剂，使醛衍生的烯胺分子内共轭加成到 α,β-不饱和酯。尽管之前对醛衍生的烯胺的共轭加成进行了广泛的探索，但未活化的烯酸酯的催化共轭加成是前所未有的。实现对映选择性和非对映选择性六元环的形成需要手性吡咯烷的协调作用，用于通过烯胺形成亲核活化醛，以及氢键供体，用于烯酸酯的亲电活化。正确选择氢键供体对于化学选择性至关重要，这需要最大限度地减少来自高醛醇反应的竞争。从环庚烯六步合成 (−)-yohimbane 证明了效用。
• Novel benzopyran or thiobenzopyran derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20040102479A1

  公开（公告）日：2004-05-27

  The present invention relates to a novel benzopyran or thiobenzopyran derivative represented by formula (1): pharmaceutically acceptable salt or stereoisomer thereof, in which X, R 1 , R 2 , R 3 , R 4 and A are defined as described in the specification, and to a process for preparation thereof and a pharmaceutical composition having anti-estrogenic activity which contains the compound (1) as an active component.

  本发明涉及一种由式（1）表示的新型苯并吡喃或硫代苯并吡喃衍生物：其药学上可接受的盐或立体异构体，其中X，R1，R2，R3，R4和A的定义如说明书中所述，以及制备过程和具有抗雌激素活性的制剂，其含有化合物（1）作为活性成分。
• Beta-hydroxycyclopentylperoxide compounds and the use thereof
  申请人：NIPPON OIL CO. LTD.

  公开号：EP0103099A2

  公开（公告）日：1984-03-21

  Novel peroxide compounds and the use thereof. In particular, the present invention concerns β-hydroxycyclopentylperoxide compounds of the general formula: wherein R, represents hydrogen or an organic residue of 1 to 9 carbon atoms. These novel peroxide compounds are useful as an intermediate in the production of glutaraldehydes.

  新型过氧化物化合物及其用途。本发明尤其涉及通式为 β-羟基环戊基过氧化物的化合物： 其中 R 代表氢或 1 至 9 个碳原子的有机残基。这些新型过氧化物化合物可用作生产戊二醛的中间体。
• POLYMER ALLOY, CROSSLINKED ARTICLES, AND FUEL HOSES
  申请人：Zeon Corporation

  公开号：EP1548056A1

  公开（公告）日：2005-06-29

  A polymer alloy formed by containing 40 to 90 wt% of a nitrile group-containing copolymer rubber (A) and 10 to 60 wt% of an acrylic resin (B); wherein said acrylic resin (B) contains at least 50 wt% of (meth)acrylic ester monomer unit and 1 to 27 wt% of α,β-ethylenically unsaturated nitrile monomer unit is provided, by which a polymer alloy having excellent balance of resistance to cold, ozone, gasoline penetration and fuel oil and suitable as a material for fuel hoses can be provided.

  提供了一种由 40 至 90 wt%的含腈基共聚橡胶（A）和 10 至 60 wt%的丙烯酸树脂（B）形成的聚合物合金；其中所述丙烯酸树脂（B）含有至少 50 wt%的（甲基）丙烯酸酯单体单元和 1 至 27 wt%的α，β-乙烯基不饱和腈单体单元，通过该聚合物合金，可以提供一种在耐寒性、耐臭氧性、耐汽油渗透性和耐燃油性方面具有出色平衡的聚合物合金，并适合用作燃油软管的材料。