(4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanol | 78906-12-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanol
• 英文别名: [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanol
• CAS: 78906-12-4
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: CPMKQUJEPAWRPB-UHFFFAOYSA-N

物化性质

• 沸点：
  322.9±37.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanol 在 盐酸 、 水 作用下， 以303 mg的产率得到4-(羟基甲基)苯乙酮
  参考文献：
  名称：

  Experimental Investigations of a Partial Ru–O Bond during the Metal–Ligand Bifunctional Addition in Noyori-Type Enantioselective Ketone Hydrogenation

  摘要：

  The transition state for the metal ligand bifunctional addition step in Noyori's enantioselective ketone hydrogenation was investigated using intramolecular trapping experiments. The bifunctional addition between the Ru dihydride trans-[Ru((R)-BINAP)(H())2((R,R)-dpen)] and the hydroxy ketone 4-HOCH2C6H4(CO)CH3 at -80 degrees C exclusively formed the corresponding secondary ruthenium alkoxide trans-[Ru((R)-BINAP)(H)(4-HOCH2C6H4CH(CH3)O)((R,R)-dpen)]. Combined with the results of control experiments, this observation provides strong evidence for the formation of a partial Ru-O bond in the transition state.

  DOI：

  10.1021/ja202732q
• 作为产物：
  描述：

  4-乙酰基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 生成 (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanol
  参考文献：
  名称：

  碳对芳族缩醛的化学催化氧氧化钯

  摘要：

  前所未有的化学选择性转化的发展有助于形成靶分子的新型合成过程。使用可重复使用的钯/碳催化剂在大气氧条件下形成具有脂肪族乙缩醛和缩酮耐受性的酯衍生物，可以实现芳香族乙缩醛的化学选择性氧化。

  DOI：

  10.1021/acs.orglett.6b02833

文献信息

• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US20150196672A1

  公开（公告）日：2015-07-16

  The present invention provides compounds with imaging moieties for imaging a subject. The present invention also relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, a composition or plurality of imaging agents is enriched in 18 F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs.

  本发明提供了具有成像基团的化合物，用于对受试者进行成像。本发明还涉及用于合成和使用成像试剂或其前体的系统、组合物和方法。成像试剂前体可以使用本文所述的方法转化为成像试剂。在某些情况下，组合物或多种成像试剂富集于 18 F。在某些情况下，成像试剂可用于成像受试者的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。
• Free radical reactions in solution. Part 6. Thermal decomposition of substituted dibenzyl mercurials in solution. An improved σ˙ scale
  作者：Suphi Dinçtürk、Richard A. Jackson、Michael Townson、Hikmet Aǧirbaş、Norman C. Billingham、Gary March

  DOI：10.1039/p29810001121

  日期：——

  The kinetics of the decomposition of ten substituted dibenzylmercury compounds in solution have been determined in the temperature range 126–156°. From the relative rates at 140.2°, a new scale of substituent constants σ˙ applicable to free radical reactions is derived. E.s.r. spectra for seven substituted benzyl radicals show a reasonable correlation of aα–CH2 with σ˙.

  在126–156°的温度范围内测定了十种取代的二苄基汞化合物在溶液中的分解动力学。从140.2°的相对速率，得出适用于自由基反应的新的取代基常数σ˙。七个取代的苄基的Esr光谱显示出α–CH 2与σ˙的合理相关性。
• Oxime derivatives
  申请人：Zeneca Limited

  公开号：US05332757A1

  公开（公告）日：1994-07-26

  The invention concerns oxime derivatives of the formula I ##STR1## wherein R.sup.4 includes hydrogen, carboxy, carbamoyl, amino, cyano, trifluoromethyl, (1-4C)alkylamino, di-(1-4C)alkylamino and (1-4C)alkyl; R.sup.5 includes hydrogen, (1-4C)alkyl, (3-4C)alkenyl, (3-4C)alkynyl, (2-5C)alkanoyl, halogeno-(2-4C)alkyl and hydroxy-(2-4C)alkyl; Ar.sup.1 is phenylene or a heteroaryl diradical; A.sup.1 is a direct link to X.sup.1, or A.sup.1 is (1-4C)alkylene; X.sup.1 is oxy, thio, sulphinyl or sulphonyl; Ar.sup.2 is phenylene or a heteroaryl diradical; R.sup.1 is (1-4C)alkyl, (3-4C)alkenyl or (3-4C)alkynyl; and R.sup.2 and R.sup.3 together form a group of the formula -A.sup.2 -X.sup.2 -A.sup.3 - which together with the carbon atom to which A.sup.2 and A.sup.3 are attached define a ring having 5 or 6 ring atoms, wherein each of A.sup.2 and A.sup.3 is (1-3C)alkylene and X.sup.2 is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof; processes for their manufacture; pharmaceutical compositions containing them and their use as 5-lipoxygenase inhibitors.

  该发明涉及公式I的肟衍生物 其中R.sup.4包括氢、羧基、氨基甲酰基、氨基、氰基、三氟甲基、(1-4C)烷基氨基、二-(1-4C)烷基氨基和(1-4C)烷基；R.sup.5包括氢、(1-4C)烷基、(3-4C)烯基、(3-4C)炔基、(2-5C)烷酰基、卤代-(2-4C)烷基和羟基-(2-4C)烷基；Ar.sup.1是苯基或杂环双基；A.sup.1是直接连接到X.sup.1的连接，或者A.sup.1是(1-4C)烷基；X.sup.1是氧、硫、亚砜基或砜基；Ar.sup.2是苯基或杂环双基；R.sup.1是(1-4C)烷基、(3-4C)烯基或(3-4C)炔基；R.sup.2和R.sup.3一起形成一个具有5或6个环原子的环的基团，其中A.sup.2和A.sup.3中的每一个是(1-3C)烷基，X.sup.2是氧、硫、亚砜基、砜基或亚胺；或其药学上可接受的盐；其制备方法；含有它们的药物组合物以及它们作为5-脂氧合酶抑制剂的用途。
• Ester derivatives and pharmaceutical compositions containing them
  申请人：ZENECA LIMITED

  公开号：EP0581464A1

  公开（公告）日：1994-02-02

  The invention concerns ester derivatives of the formula I wherein Ar is phenyl, naphthyl, indenyl, indanyl, a 10-membered bicyclic heterocyclic moiety containing one or two nitrogen heteroatoms and optionally containing a further heteroatom selected from nitrogen, oxygen and sulphur, or a 9-membered or 10-membered bicyclic heterocyclic moiety containing one heteroatom group selected from oxygen, sulphur, sulphinyl, sulphonyl and imino; A1 is a direct link to the oxygen atom of the ester group or A1 is (1-3C)alkylene ; each of R4 and R5 is hydrogen or (1-4C)alkyl; R1 is (1-4C)alkyl, (3-4C)alkenyl or (3-4C)alkynyl ; and R2 and R3 together form a group of the formula -A2-X-A3- wherein each of A2 and A3 is independently (1-3C)alkylene and X is oxy, thio, sulphinyl, sulphonyl or imino; or pharmaceutically-acceptable salts thereof ; processes for their manufacture; pharmaceutical compositions containing them and their use as 5-lipoxygenase inhibitors.

  该发明涉及以下式I的酯衍生物，其中Ar是苯基、萘基、茚基、茚基、含有一个或两个氮杂原子并且可选择地含有从氮、氧和硫中选择的进一步杂原子的一个含有10个成员的双环杂环基，或者含有从氧、硫、亚硫基、磺酰基和亚胺中选择的一个杂原子基团的9-成员或10-成员双环杂环基；A1是直接连接到酯基的氧原子的链或A1是(1-3C)烷基；R4和R5中的每一个是氢或(1-4C)烷基；R1是(1-4C)烷基、(3-4C)烯基或(3-4C)炔基；以及R2和R3共同形成下述式的一个基团-A2-X-A3-，其中A2和A3中的每一个独立地是(1-3C)烷基，X是氧、硫、亚硫基、磺酰基或亚胺；或其药学上可接受的盐；其制备方法；含有它们的药物组合物以及它们作为5-脂氧合酶抑制剂的用途。
• Iridium-Catalyzed C-Alkylation of Methyl Group on <i>N</i>-Heteroaromatic Compounds using Alcohols
  作者：Mitsuki Onoda、Ken-ichi Fujita

  DOI：10.1021/acs.orglett.0c02635

  日期：2020.9.18

  In this study, we developed a catalytic system for the C-alkylation of a methyl group on N-heteroaromatic compounds, including pyridine, pyrimidine, pyrazine, quinoline, quinoxaline, and isoquinoline, using alcohols based on a hydrogen-borrowing process with [Cp*IrCl2]2 (Cp*: η5-pentamethylcyclopentadienyl) combined with potassium t-butoxide and 18-crown-6-ether as the catalyst precursor.

  在这项研究中，我们开发了一种催化体系，用于使用N [Cp * IrCl 2 ] 2（Cp *：η5-五甲基环戊二烯基）与叔丁醇钾和18-冠-6-醚组合作为催化剂前体。