2-methyl-2-(prop-2-ynyl)propane-1,3-diol | 25462-41-3

• 分子结构分类: 有机化合物 - 乙炔化物
• 英文名称: 2-methyl-2-(prop-2-ynyl)propane-1,3-diol
• 英文别名: 1-pentyne-4,4-dimethanol；2-methyl-2-prop-2-ynyl-propane-1,3-diol；1,3-Propanediol, 2-methyl-2-(2-propynyl)-；2-methyl-2-prop-2-ynylpropane-1,3-diol
• CAS: 25462-41-3
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: CEIDCILOVCXUFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  2-methyl-2-(prop-2-ynyl)propane-1,3-diol 在 咪唑 、 4-二甲氨基吡啶 、 正丁基锂 、 [RhCl2(p-cymene)]2 、 碘 、 叔丁基锂 、 氟化氢吡啶 、 三乙胺 、 三苯基膦 、 异丙醇 、 (1S,2S)-(+)-N-对甲苯磺酰基-1,2-二苯基乙二胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 15.5h， 生成 1,15-bis[[tert-butyl(diphenyl)silyl]oxy]-14-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-2,12,14-trimethylpentadeca-10,11-dien-7-ol
  参考文献：
  名称：

  A Spirodiepoxide-Based Strategy to the A−B Ring System of Pectenotoxin 4

  摘要：

  A synthesis of a pectenotoxin 4 C1-C15 segment is reported. Suitable C1-C7 and C8-C15 segments were prepared, coupled, converted to I and the C3-hydroxy variant, and then cyclized. Key findings include the stereoselective conversion of the allene to the corresponding spirodiepoxide, oxidative cleavage of the p-methoxybenzyl ether, and cyclization of the spirodiepoxide to spiroketal II.

  DOI：

  10.1021/ol063087n
• 作为产物：
  描述：

  diethyl methylpropargylmalonate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 4.0h， 以86%的产率得到2-methyl-2-(prop-2-ynyl)propane-1,3-diol
  参考文献：
  名称：

  Findeis, Ralf A.; Gade, Lutz H., Journal of the Chemical Society, Dalton Transactions, 2002, # 21, p. 3952 - 3960

  摘要：

  DOI：

文献信息

• (Pentamethylcyclopentadienyl)Iridium Dichloride Dimer {[IrCp*Cl2]2}: A Novel Efficient Catalyst for the Cycloisomerizations of Homopropargylic Diols and N-Tethered Enynes
  作者：Erica Benedetti、Antoine Simonneau、Alexandra Hours、Hani Amouri、Andrea Penoni、Giovanni Palmisano、Max Malacria、Jean-Philippe Goddard、Louis Fensterbank

  DOI：10.1002/adsc.201100124

  日期：2011.8

  iridium dichloride dimer [IrCp*Cl2]2}-catalyzed hydroalkoxylation of bis-homopropargylic alcohols provides an efficient access to dioxabicyclo[2.2.1]ketals. The cycloisomerizations proceed under mild conditions, with low catalytic loadings and short reaction times. This new protocol involving an Ir(III) catalyst also promoted the cycloisomerization of nitrogen-tethered 1,6-enynes to give azabicyclo[4

  （五甲基环戊二烯基）二氯化铱二聚体[[IrCp * Cl 2 ] 2 }催化的双均炔丙醇的加氢烷氧基化反应可有效地获得二氧杂双环[2.2.1]缩酮。环异构化反应在温和的条件下进行，催化负荷低，反应时间短。这项涉及Ir（III）催化剂的新方案还促进了氮系1,6-炔烃的环异构化反应，形成了氮杂双环[4.1.0]庚烯，从而提高了我们方法的合成潜力。
• Synthesis and Charge/Discharge Properties of Polyacetylenes Carrying 2,2,6,6-Tetramethyl-1-piperidinoxy Radicals
  作者：Jinqing Qu、Toru Katsumata、Masaharu Satoh、Jun Wada、Jun Igarashi、Kenji Mizoguchi、Toshio Masuda

  DOI：10.1002/chem.200700698

  日期：2007.9.28

  The formed polymers were thermally stable up to approximately 274 degrees C according to thermogravimetric analysis (TGA). All the TEMPO-containing polymers demonstrated reversible charge/discharge processes, whose discharge capacities were 21.3-108 A h kg(-1). In particular, the capacity of poly(1)-, poly(4)-, and poly(5)-based cells reached 108, 96.3, and 89.3 A h kg(-1), respectively, which practically

  含2,2,6,6-四甲基-1-哌啶氧基（TEMPO）的炔属单体HC [三键] CC（6）H（3）-p，m-（CONH-4-TEMPO）（2）（ 1），HC [三键] CC（6）H（3）-p，m-（COO-4-TEMPO）（2）（2），（S，S，S，S）-HC [三键] CC（6）H（3）-p，m- [CO-NHCH COO-（4-TEMPO）} CH（2）COO-（4-TEMPO）]（2）（3），（S，S） -HC [三键] CC（6）H（4）CO-NHCH COO-（4-TEMPO）} CH（2）COO-（4-TEMPO）（4），HC [三键] CC（6） H（4）-p-OCO-4-TEMPO（5），HC [三键] CCH（2）C（CH（3））（CH（2）OCO-4-TEMPO）（2）（6）， HC [三键] CCH（2）NHCO-4-TEMPO（7）和HC [三键] CCH（2）O
• TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20130172317A1

  公开（公告）日：2013-07-04

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect. A pharmaceutical composition having an analgesic effect or an improving effect of urination disorder comprising a compound of the formula (I): wherein R h and R j are taken together to form a bond; R a and R b and/or R d and R e are taken together to form oxo or the like; R c is hydrogen, substituted or unsubstituted alkyl or the like; R f is —(CR 4a R 4b ) n —R 2 ; R 4a and R 4b are hydrogen, substituted or unsubstituted alkyl or the like; R 2 is substituted or unsubstituted cycloalkyl or the like; n is an integer of 1 to 4; —R g is —X—R 3 ; —X— is —O—, —S— or the like; R 3 is substituted or unsubstituted cycloalkyl or the like, or its pharmaceutically acceptable salt or a solvate thereof.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗作用的新型化合物。一种具有镇痛作用或改善排尿障碍作用的药物组合物，包括式（I）的化合物：其中Rh和Rj结合形成键；Ra和Rb和/或Rd和Re结合形成氧化物或类似物；Rc是氢、取代或未取代的烷基或类似物；Rf是-(CR4aR4b)n-R2；R4a和R4b是氢、取代或未取代的烷基或类似物；R2是取代或未取代的环烷基或类似物；n是1到4的整数；-R是-X-R3；-X-是-O-、-S-或类似物；R3是取代或未取代的环烷基或类似物，或其药学上可接受的盐或其溶剂化物。
• Functionalised polyurethanes
  申请人：Universiteit Gent

  公开号：EP2009039A1

  公开（公告）日：2008-12-31

  The present invention relates to a method for producing an isocyanate-based polymer material by curing a reaction mixture which comprises different reaction components, including at least one polyisocyanate component and at least one component which is reactive towards said polyisocyanate component. The reaction components comprise at least one anchor component which has at least one anchor group which enables to bond a functional component covalently to the cured material. The anchor group is a reactive unsaturated group which does not react during the curing process so that the polymerisation process is not interfered. The anchor group is selected to that it can bind the functional component by a click chemistry reaction to the cured polymer material. It is more particularly selected so that it can participate in a catalysed Huisgen 1,3-dipolar cycloaddition reaction or in a Diels-Alder cycloaddition reaction The invention also relates to the obtained isocyanate-based polymer material, to the use thereof to produce a functionalised polymer material and to this functionalised polymer material.

  本发明涉及一种通过固化反应混合物生产异氰酸酯基聚合物材料的方法，反应混 合物包括不同的反应组分，其中至少包括一种多异氰酸酯组分和至少一种对所述多异 氰酸酯组分具有反应性的组分。反应组分包括至少一种锚定组分，该锚定组分具有至少一个锚定基团，可将功能组分共价键合到固化材料上。锚基是一种活性不饱和基团，在固化过程中不会发生反应，因此不会干扰聚合过程。选择锚基的目的是使其能通过点击化学反应将官能团结合到固化聚合物材料上。本发明还涉及所获得的异氰酸酯基聚合物材料、使用该材料生产功能化聚合物材料以及该功能化聚合物材料。
• FUNCTIONALISED POLYURETHANES
  申请人：Universiteit Gent

  公开号：EP2164888A2

  公开（公告）日：2010-03-24