3,7,11,15-tetramethyl-1-hexadecyne-3-ol | 29171-23-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,7,11,15-tetramethyl-1-hexadecyne-3-ol
• 英文别名: dehydroisophytol；3,7,11,15-tetramethylhexadec-1-yn-3-ol
• CAS: 29171-23-1
• 化学式: C₂₀H₃₈O
• mdl: MFCD00129084
• 分子量: 294.521
• InChiKey: MULUCORRSAVKOA-UHFFFAOYSA-N

物化性质

• 熔点：
  128-132 °C
• 沸点：
  184-185 °C(Press: 1 Torr)
• 密度：
  0.8798 g/cm3
• 保留指数：
  2319

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,7,11,15-tetramethyl-1-hexadecyne-3-ol 在 肼基甲酸甲酯 、 三乙醇胺 、 乙醇 作用下， 反应 3.0h， 生成 异植物醇
  参考文献：
  名称：

  一种炔丙醇类化合物还原制备烯丙醇类化合物的方法

  摘要：

  本发明提供了一种炔丙醇类化合物还原制备烯丙醇类化合物的方法，使用酰肼类化合物作为还原剂，有机胺作为助剂，在溶剂存在下和一定的温度条件下，将炔丙醇类化合物选择性还原得到烯丙醇类化合物。本发明的方法无需使用价格昂贵的Pd催化剂，所述的还原剂和助剂廉价易得，容易分离，不会在产品中残留，并且具有反应操作工艺简单，反应条件温和，目标产物选择性高等优点。

  公开号：

  CN113620778B
• 作为产物：
  描述：

  植酮 在 乙醚 、 sodium amide 作用下， 生成 3,7,11,15-tetramethyl-1-hexadecyne-3-ol
  参考文献：
  名称：

  Dynamic Model with Quenched Rotational Disorder in the Hexagonal Lattice

  摘要：

  We study a 'percolative' dynamic model with quenched rotational disorder for the hexagonal lattice whose localization properties of the trajectories depend on the turning probabilities. Its critical behavior corresponds to that of simple percolation in some part of the parameter space, but elsewhere the exponents reveal new universality classes. We obtain the end-to-end distance as a function of the number of steps for different points in the parameter space. We also calculate the critical percolation probability for the hexagonal lattice, and find that it does not agree with the standard value.

  DOI：

  10.1002/(sici)1521-3951(200003)218:1<247::aid-pssb247>3.0.co;2-o

文献信息

• Synthesis of N-propargylanabasine derivatives by the mannich reaction
  作者：M. V. Mavrov、S. G. Zlotin

  DOI：10.1007/s11172-007-0256-0

  日期：2007.8

  N-Propargylanabasine derivatives bearing various substituents at the carbon atom of the alkyne fragment were obtained by the reaction of anabasine hydrochloride with terminal alkynes and paraformaldehyde. The reaction proceeded with retention of the C(2) chiral center in anabasine fragment. The by-products of the reaction, including 1,3-diacetylene (the products of dimerization of alkynes) and conjugated

  通过anabasine盐酸盐与末端炔烃和多聚甲醛反应获得在炔片段的碳原子上带有各种取代基的N-Propargylanabasine衍生物。反应继续进行，保留了 anabasine 片段中的 C(2) 手性中心。分离并表征了反应的副产物，包括 1,3-二乙炔（炔烃二聚产物）和共轭乙烯基乙炔（曼尼希加合物的重排产物）。
• Formation of chromanes and chromenes by using silver(I) or gold(I) salts or complexes
  申请人：DSM IP Assets B.V.

  公开号：EP2842951A1

  公开（公告）日：2015-03-04

  The present invention relates to the method of preparing chiral chromanes and chromenes in high yields by intramolecular hydroarylation of chiral aryl alkynes catalysed by either a silver(I) or gold(I) salt or complex in combination of a specific acid or by a silver(I) or gold(I) metal salt or complex having specific anion. By the hydroarylation a chromene is formed which has a chiral centre in the 2 position. The corresponding chromane is obtained by hydrogenation of the chromenes.

  本发明涉及通过手性芳基炔烃的分子内氢芳基化，在银(I)或金(I)盐或络合物的催化下，结合特定酸，或者通过具有特定阴离子的银(I)或金(I)金属盐或络合物，高产率地制备手性色酮和色烯的方法。通过氢芳基化形成了一个在2位具有手性中心的色烯。通过对色烯的加氢得到相应的色酮。
• Preparation of higher alpha, beta-unsaturated alcohols
  申请人：——

  公开号：US20020183565A1

  公开（公告）日：2002-12-05

  Higher &agr;,&bgr;-unsaturated alcohols are prepared by monoethynylation of a ketone by the NH 3 /KOH method, if desired hydrogenation of the acetylene alcohol in the presence of hydrogen over a Pd-containing thin layer catalyst, purifying distillation of the hydrogenation product, preferably in a dividing wall column with recirculation of the unreacted ketone to the ethynylation step, and, if desired, preparation of higher alcohols having in each case 5 more carbon atoms in the chain by reacting the alcohols prepared by monoethynylation and, if desired, partial hydrogenation with alkyl acetoacetatesor diketene in a Carroll reaction to form ketones and using these as starting materials for the steps ethynylation, optional hydrogenation and fractional distillation.

  高级α，β-不饱和醇通过NH3/KOH方法对酮进行单乙炔基化制备，如有需要，在Pd含量薄层催化剂存在下，对乙炔醇进行加氢反应，纯化加氢产物的蒸馏，最好在带有循环未反应酮的分隔壁柱的条件下进行，然后，如有需要，通过将通过单乙炔基化制备的醇与如有需要的部分加氢后的醇与烯丙酮酸酯或二酮在Carroll反应中反应，形成酮，并将其用作乙炔基化、可选加氢和分馏步骤的起始原料，制备具有每个链中5个以上碳原子的高级醇。
• [EN] FORMATION OF CHROMANES AND CHROMENES BY USING SILVER(I) OR GOLD(I) SALTS OR COMPLEXES<br/>[FR] FORMATION DE CHROMANES ET DE CHROMÈNES PAR UTILISATION DE SELS OU DE COMPLEXES D'ARGENT (I) OU D'OR (I)
  申请人：DSM IP ASSETS BV

  公开号：WO2015028463A1

  公开（公告）日：2015-03-05

  The present invention relates to the method of preparing chiral chromanes and chromenes in high yields by intramolecular hydroarylation of chiral aryl alkynes catalysed by either a silver(I) or gold(I) salt or complex in combination of a specific acid or by a silver(I) or gold(I) metal salt or complex having specific anion. By the hydroarylation a chromene is formed which has a chiral centre in the 2 position. The corresponding chromane is obtained by hydrogenation of the chromenes.

  本发明涉及通过由银(I)或金(I)盐或络合物催化的手性芳基炔烃的分子内氢芳基化，以高产率制备手性色酮和色烯的方法，或者通过具有特定酸的组合或具有特定阴离子的银(I)或金(I)金属盐或络合物。通过氢芳基化形成了一个在2位具有手性中心的色烯。通过对色烯的加氢得到相应的色酮。
• The Rearrangement of ?-Acetylenic Alcohols to ?, ?-Unsaturated Carbonyl Compounds by Silylvanadate Catalysts
  作者：Horst Pauling、David Arthur Andrews、Nathan Chadwick Hindley

  DOI：10.1002/hlca.19760590426

  日期：1976.6.2

  New catalytic systems have been found which effect the isomerization of α-acetylenic alcohols to the corresponding α, β-unsaturated carbonyl compounds with high efficiency. These are combinations of silylvanadates with silanols or silanediols.

  已经发现了新的催化体系，其可以高效地将α-炔醇异构化为相应的α，β-不饱和羰基化合物。这些是硅烷基钒酸盐与硅烷醇或硅烷二醇的组合。

表征谱图