甲基糠基醚 | 13679-46-4

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 甲基糠基醚
• 英文名称: 2-(methoxymethyl)furan
• 英文别名: furfuryl methyl ether
• CAS: 13679-46-4
• 化学式: C₆H₈O₂
• mdl: MFCD02262180
• 分子量: 112.128
• InChiKey: GANSPRKOWQQXPE-UHFFFAOYSA-N

物化性质

• 熔点：
  97 °C
• 沸点：
  132°C (estimate)
• 密度：
  1.0163
• LogP：
  1.12
• 物理描述：
  Clear to yellow liquid; Airy, roasted coffee aroma
• 溶解度：
  Insoluble in water; Soluble in ether
• 折光率：
  1.454-1.460
• 保留指数：
  827.5;861.7

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  22.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  甲基糠基醚 在 盐酸 、 甲醇 作用下， 生成 2,4,5-三甲氧基-2-甲基-四氢-呋喃
  参考文献：
  名称：

  Clauson-Kaas; Nielsen, Acta Chemica Scandinavica (1947), 1955, vol. 9, p. 475,481

  摘要：

  DOI：
• 作为产物：
  描述：

  o-methyl furan-2-carbothioate 在 镍 作用下， 以 乙醚 为溶剂， 以37%的产率得到甲基糠基醚
  参考文献：
  名称：

  A new conversion of esters to ethers and its application to the preparation of furano-18-crown-6

  摘要：

  DOI：

  10.1021/jo00317a045

文献信息

• Reactions in Slightly Hydrated Solid/Liquid Heterogeneous Media: The Methylation Reaction with Dimethyl Sulfoxide
  作者：D. Achet、D. Rocrelle、I. Murengezi、M. Delmas、A. Gaset

  DOI：10.1055/s-1986-31729

  日期：——

  The O-methylation of alcohols and phenols with stoichiometric amounts of dimethyl sulfate in 1,4-dioxan or triglyme in the presence of solid potassium hydroxide and small amounts of water represents a useful method for the synthesis of methylethers in high yields and with high selectivity. The complete consumption of dimethyl sulfate in this reaction avoids the problems connected with the work-up of reaction mixtures still containing excess amounts of this toxic reagent.

  在固体氢氧化钾和少量水的存在下，使用二甲基硫酸酯和1,4-二氧六环或三甘醇的定量摩尔量对醇和酚进行O-甲基化，是一种合成甲醚的高产率和高选择性的有用方法。该反应中二甲基硫酸酯的完全消耗避免了与含有过量这种有毒试剂的反应混合物后处理相关的问题。
• Formation and ring-opening of 8-oxabicyclo[3.2.1]oct-6-en-3-ones from (4+3)-cycloaddition of furan and chlorocyclopentanone derivatives
  作者：Xuefeng Gao、Michael Harmata

  DOI：10.1016/j.tet.2013.05.051

  日期：2013.9

  During the course of studying an ene reaction of an oxyallylic cation derived from a 2-chlorocyclopentanone system, the reactive species was found to undergo quite facile (4+3)-cycloadditions with furans. Moreover, the (4+3)-cycloadducts derived from furans were prone to ring-opening, which resulted in the formation of 2-furanyl cyclopentanones in excellent yields. An acid-catalyzed mechanism was proposed

  在研究衍生自2-氯环戊酮体系的羟基烯丙基阳离子的烯反应过程中，发现反应性物种与呋喃的反应非常容易（4 + 3）-环加成。此外，源自呋喃的（4 + 3）-环加合物易于开环，这导致以优异的产率形成2-呋喃基环戊烷酮。提出了一种酸催化机制用于开环过程。确定了两个反应的几个例子。
• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214782A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式I的新化合物，以及它们作为药物的用途，它们的治疗用途的方法，以及含有它们的药物组合物。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• 8-Substituted isoquinoline derivative and the use thereof
  申请人：Kaneko Shunsuke

  公开号：US20100261701A1

  公开（公告）日：2010-10-14

  The present invention relates to a compound represented by the following formula (1): wherein D 1 , A 1 , D 2 , R 1 , D 3 , and R 2 each have the same meaning as defined in the present specification or a salt thereof. The compound represented by the formula (1) or a salt thereof has an IKKβ inhibiting activity and the like and is useful for the prevention and/or treatment of IKKβ-associated diseases or symptoms and the like.

  本发明涉及一种由以下式（1）表示的化合物： 其中D1，A1，D2，R1，D3和R2分别具有与本说明书中定义的相同含义或其盐。由式（1）表示的化合物或其盐具有IKKβ抑制活性等，对于预防和/或治疗IKKβ相关疾病或症状等方面是有用的。

表征谱图