3-(3,5-二甲氧基苯基)-1-丙醇 | 1080-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3,5-二甲氧基苯基)-1-丙醇
• 中文别名: 3-(3,5-二甲氧基苯基)丙烷-1-醇
• 英文名称: 3-(3,5-dimethoxyphenyl)-1-propanol
• 英文别名: 3-(3,5-dimethoxyphenyl)propan-1-ol；3-(3,5-(dimethoxy)phenyl)propanol；3-(3,5-Dimethoxy-phenyl)-propan-1-OL
• CAS: 1080-05-3
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: YSXABKVXIGREIB-UHFFFAOYSA-N

物化性质

• 沸点：
  170-171 °C(Press: 12 Torr)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• 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

安全信息

• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  3-(3,5-二甲氧基苯基)-1-丙醇 在 C₃₃H₃₃N₅O₈Ru 、 双氧水 作用下， 以 乙酸乙酯 为溶剂， 反应 15.0h， 以93%的产率得到6-(3-hydroxypropyl)-2-methoxy-p-benzoquinone
  参考文献：
  名称：

  ONO-钳式钌络合物键合的正缬氨酸，可利用过氧化氢有效催化氧化甲氧基苯†

  摘要：

  钌络合物键合的正缬氨酸Boc- L- [RuNva-OMe 1 ]具有增强的催化活性，其中ONO-pin钌络合物Ru（pydc）（terpy）2拴系在正缬氨酸的α-侧链上，具有已证明具有广泛的底物范围和独特的化学选择性，可将甲氧基苯氧化为对苯醌。

  DOI：

  10.1039/c6ob00969g
• 作为产物：
  描述：

  白藜芦醇 在 palladium on activated charcoal 氢气 、 臭氧 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 34.5h， 生成 3-(3,5-二甲氧基苯基)-1-丙醇
  参考文献：
  名称：

  Stable Isotope Labeling Pattern of Resveratrol and Related Natural Stilbenes

  摘要：

  The stable isotope characterization of resveratrol 1 from Polygonum cuspidatum and of related natural stilbenes 11 and 12 obtained by hydrolysis of the corresponding glucosides 2 and 3 from Rheum is reported. The C-6-C-2-C-6 framework of suitably protected derivatives of 1, 2, and 3 has been degraded with ozone to the C-6-C-1 aldehydes 4, 5, 9, and 10, retaining all hydrogen atoms of the precursors. The natural and synthetic derivatives are characterized and distinguished by natural abundance deuterium nuclear magnetic resonance studies. In the case of anisaldehyde 4 the two series show, as expected, the characteristic difference of the aromatic labeling. The formyl deuterium contents of 4 and 5 from resveratrol are remarkably different, seemingly reflecting the different enrichments existing between positions 3 and 2, respectively, of the phenylpropanoid precursor. The positional delta(18)O values of the extractive materials 1-3 were also determined. In this instance a selective deoxygenation procedure was adopted, leading from 1 to the products 6, 7, and 8. The delta(18)O values of the latter compounds reveal, respectively, those at position 4' and positions 3 and 5 of 1. Similarly, the phenolic products 11 and 12 were converted into 13 and 14. From the delta(18)O values of the single components it is possible to design a detailed map of the oxygen fractionations which characterizes the stilbenes 1-3. In particular, the oxygen present at position 4' of the phenylpropanoid moiety of 1-3 shows delta(18)O values of +11.5, +1.8, and +6.7parts per thousand, respectively. Moreover, the phenolic oxygen atom at position 3' of rhapontin 3 shows a value of +11.7parts per thousand. The data are compared with those previously obtained on structurally related compounds. These results show the utility of simple chemical degradations in the stable isotope characterization of structurally complex food components.

  DOI：

  10.1021/jf011103j

文献信息

• [EN] CATALYST AND PROCESS FOR SYNTHESISING THE SAME<br/>[FR] CATALYSEUR ET SON PROCÉDÉ DE SYNTHÈSE
  申请人：UNIV WARWICK

  公开号：WO2014068331A1

  公开（公告）日：2014-05-08

  The invention relates to a method for synthesising tethered ruthenium catalysts and novel tethered ruthenium catalysts obtainable by this methods. The method involves carrying out an "arene swapping" reaction avoiding the requirement to use complicated techniques making use of unreliable Birch reductions and unstable cyclodienyl intermediates.

  这项发明涉及一种合成系列钯催化剂的方法，以及通过这种方法可获得的新型系列钯催化剂。该方法涉及进行“芳烃交换”反应，避免使用复杂技术，而不使用不可靠的Birch还原和不稳定的环二烯基中间体。
• Radical isomerization via intramolecular ipso substitution of aryl ethers: Aryl translocation from oxygen to carbon
  作者：Lee Eun、Lee Chulbom、Sung Tae Jin、Sung Whang Ho、Sok Li Kap

  DOI：10.1016/s0040-4039(00)77609-x

  日期：1993.4

  Bromopropyl aryl ethers an converted to 3-arylpropanols under standard radical generating conditions in the presence of tributylstannane and AIBN. This rearrangement involves intramolecular ipso attack of the alkyl radicals which generates spiro cyclohexadienyl radical intermediates.

  在三丁基锡烷和AIBN存在下，在标准自由基产生条件下，将溴丙基芳基醚转化为3-芳基丙醇。该重排涉及烷基的分子内ipso攻击，其产生螺环己二烯基自由基中间体。
• Use of parallel-synthesis combinatorial libraries for rapid identification of potent FKBP12 inhibitors
  作者：Chi Choi、Jia-He Li、Mark Vaal、Christine Thomas、David Limburg、Yong-Qian Wu、Yi Chen、Raj Soni、Chad Scott、Douglas T Ross、Hong Guo、Pamela Howorth、Heather Valentine、Shi Liang、Dawn Spicer、Mike Fuller、Joseph Steiner、Gregory S Hamilton

  DOI：10.1016/s0960-894x(02)00147-6

  日期：2002.5

  Using simple, inexpensive equipment, we have used solution-phase parallel synthesis to rapidly prepare hundreds of sulfonamide- and urea-containing FKBP inhibitors, resulting in rapid identification of extremely potent compounds in these series.

  使用简单，廉价的设备，我们已使用溶液相平行合成法快速制备了数百种含磺酰胺和脲的FKBP抑制剂，从而快速鉴定了这些系列中的强效化合物。
• A CONVENIENT AND EFFECTIVE SYNTHESIS OF 3-(3,5-DIMETHOXYPHENYL)PROPANAL
  作者：Spyros P. Nikas、Ganesh A. Thakur、Alexandros Makriyannis

  DOI：10.1081/scc-120004271

  日期：2002.1

  ABSTRACT A convenient and effective synthesis of 3-(3,5-dimethoxyphenyl) propanal, an important intermediate in the synthesis of various biologically active compounds is described.

  摘要描述了一种方便有效的合成 3-(3,5-二甲氧基苯基) 丙醛，这是合成各种生物活性化合物的重要中间体。
• Development of agonists, partial agonists and antagonists in the Δ8-Tetrahydrocannabinol series
  作者：Peter J. Crocker、Bijali Saha、William J. Ryan、Jenny L. Wiley、Billy R. Martin、Ruth A. Ross、Roger G. Pertwee、Raj K. Razdan

  DOI：10.1016/s0040-4020(99)00849-2

  日期：1999.12

  sequences were developed (Schemes 1 to 6) for the syntheses of various Δ8-THC analogs with either a rigid acetylenic linkage or a cis-double bond in different positions in the side chain. Various alkyne and cis-ene-Δ8-THC analogs were also synthesized carrying a functional group such as a cyano, isothiocyano, azido, amino, nitro, bromo, hydroxy, fluoro and a methoxy group at the chain terminal. The in

  合成序列被开发用于各种的合成（方案1至6）Δ 8 -THC类似物与任一刚性炔键或CIS在侧链不同的位置-双键。各种炔和顺式-烯Δ 8个-THC类似物还合成携带功能性基团，如氰基，异硫氰基，叠氮基，氨基，硝基，溴，羟基，氟和在链末端为甲氧基。在体外和体内这些独特的类似物的药理学已经提供了若干配位体是部分激动剂或大麻素受体CB1拮抗剂。发现侧链中的2'-位置对于活性是最佳的。