(2,4-二-叔丁基苯氧基)乙酸 | 18327-79-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: (2,4-二-叔丁基苯氧基)乙酸
• 英文名称: 2,4-Di-tert-butylphenoxyacetic acid
• 英文别名: (2,4-di-tert-butyl-phenoxy)-acetic acid；(2,4-Di-tert-butyl-phenoxy)-essigsaeure；2,4-di-t-butylphenoxyacetic acid；(2,4-Di-tert-butylphenoxy)acetic acid；2-(2,4-ditert-butylphenoxy)acetic acid
• CAS: 18327-79-2
• 化学式: C₁₆H₂₄O₃
• mdl: MFCD00514873
• 分子量: 264.365
• InChiKey: ZKEWJHKMOWKCFM-UHFFFAOYSA-N

物化性质

• 沸点：
  361.7±37.0 °C(Predicted)
• 密度：
  1.024±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  (2,4-二-叔丁基苯氧基)乙酸 在 tris(bipyridine)ruthenium(II) dichloride hexahydrate 、 Selectfluor 、 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 以74%的产率得到2,4-di-tert-butyl-1-(fluoromethoxy)benzene
  参考文献：
  名称：

  Direct C–F Bond Formation Using Photoredox Catalysis

  摘要：

  We have developed the first example of a photoredox catalytic method for the formation of carbon-fluorine (C-F) bonds. The mechanism has been studied using transient absorption spectroscopy and involves a key single-electron transfer from the (MLCT)-M-3 (triplet metal-to-ligand charge transfer) state of Ru(bpy)(3)(2+) to Selectfluor. Not only does this represent a new reaction for photoredox catalysis, but the mild reaction conditions and use of visible light also make it a practical improvement over previously developed UV-mediated decarboxylative fluorinations.

  DOI：

  10.1021/ja412083f
• 作为产物：
  描述：

  2,4-二叔丁基苯酚 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 (2,4-二-叔丁基苯氧基)乙酸
  参考文献：
  名称：

  潜在的瞬时受体潜在香草酸1拮抗剂的发现：苯氧基乙酰胺衍生物的设计与合成

  摘要：

  我们旨在发现一种新型的瞬时受体电位类香草素1（TRPV1）拮抗剂，因为此类拮抗剂可能是治疗各种疾病的候选药物。我们修改了命中化合物7（人TRPV1 IC 50  = 411 nM）的结构，并将其吡咯烷基基团转变为（羟乙基）甲基氨基，从而大大提高了抑制活性（15d；人TRPV1 IC 50  = 33 nM）。另外，15d改善了大鼠体内的膀胱过度活动。

  DOI：

  10.1016/j.bmcl.2013.04.016

文献信息

• Discovery of potent transient receptor potential vanilloid 1 antagonists: Design and synthesis of phenoxyacetamide derivatives
  作者：Eiki Takahashi、Noriyuki Hirano、Takashi Nagahara、Satoru Yoshikawa、Shinobu Momen、Hiroshi Yokokawa、Ryoji Hayashi

  DOI：10.1016/j.bmcl.2013.04.016

  日期：2013.6

  We aimed to discover a novel type of transient receptor potential vanilloid 1 (TRPV1) antagonist because such antagonists are possible drug candidates for treating various disorders. We modified the structure of hit compound 7 (human TRPV1 IC50 = 411 nM) and converted its pyrrolidino group to a (hydroxyethyl)methylamino group, which substantially improved inhibitory activity (15d; human TRPV1 IC50 = 33 nM)

  我们旨在发现一种新型的瞬时受体电位类香草素1（TRPV1）拮抗剂，因为此类拮抗剂可能是治疗各种疾病的候选药物。我们修改了命中化合物7（人TRPV1 IC 50  = 411 nM）的结构，并将其吡咯烷基基团转变为（羟乙基）甲基氨基，从而大大提高了抑制活性（15d；人TRPV1 IC 50  = 33 nM）。另外，15d改善了大鼠体内的膀胱过度活动。
• Low plate-out polycarbonates
  申请人：General Electric Company

  公开号：US04950782A1

  公开（公告）日：1990-08-21

  Polycarbonate resins are chain-terminated with a group selected from those of the formula: ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3 are each independently selected from the group consisting of hydrogen, halogen, hydrocarbyl of from 1 to 12 carbon atoms, inclusive; and halogen-substituted hydrocarbyl of 1 to 12 carbon atoms, inclusive; R.sub.1 is attached to a ring carbon atom at one of the 4, 5 or 6 positions; and R.sub.2 and R.sub.3 when taken together represent the divalent moiety of formula: --CH.dbd.CH.sub.2 --CH.sub.2 .dbd.CH-- which effectively creates an additional fused aromatic ring structure. The resins exhibit a low plate-out when processed thermally.

  聚碳酸酯树脂的链末端带有来自以下公式所选的基团：##STR1## 其中，R.sub.1，R.sub.2和R.sub.3各自独立地选择自氢，卤素，1至12个碳原子的羟基烃基（包括）;和1至12个碳原子的卤代羟基烃基;当R.sub.1附加到4,5或6位置的环碳原子时; R.sub.2和R.sub.3在一起表示公式的二价基团：--CH = CH.sub.2 --CH.sub.2 = CH--，有效地创建了另一个融合的芳香族环结构。这些树脂在热加工时表现出低的板层现象。
• Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same
  申请人：Amorepacific Corporation

  公开号：EP1857440A1

  公开（公告）日：2007-11-21

  This present invention relates to novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor (Vanilloid Receptor 1; VR1; TRPV1) antagonist; and a pharmaceutical composition containing the same. The present invention provides a pharmaceutical composition for preventing or treating a disease such as pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane, stomach-duodenal ulcer, inflammatory diseases, ear disease, and heart disease.

  本发明涉及作为类香草素受体（Vanilloid Receptor 1; VR1; TRPV1）拮抗剂的新型化合物、其异构体或其药学上可接受的盐；以及含有这些化合物的药物组合物。 本发明提供了一种药物组合物，用于预防或治疗疼痛、偏头痛、关节痛、神经痛、神经病变、神经损伤、皮肤病、膀胱过敏、肠易激综合征、便急、呼吸系统疾病、皮肤、眼睛或粘膜刺激、胃十二指肠溃疡、炎症性疾病、耳病和心脏病等疾病。
• Alkyl Phenols as Antioxidants
  作者：R. H. Rosenwald、J. R. Hoatson、J. A. Chenicek

  DOI：10.1021/ie50481a042

  日期：1950.1
• Solid-phase oxidation of 2,4-Di-tert-butylphenol and 3,6-Di-tert-butylpyrocatechol in the presence of alkali and alkaline earth metal halides under elastic deformation
  作者：V. B. Vol’eva、A. I. Prokof’ev、I. S. Belostotskaya、A. Yu. Karmilov、N. L. Komissarova、T. I. Prokof’eva、V. V. Ershov

  DOI：10.1007/bf02757442

  日期：2000.6

  Solid-phase oxidation of 2,4-di-tert-butylphenol to give 2,2',4,4'-tert-butyl-6,6'-bisphenol and of 3,6-di-tert-butylpyrocatechol to afford 3,6-di-tert-butyl-1,2-benzoquinone was performed in the presence of alkali and alkaline earth metals halides under conditions of modified extrusion. The formation of the corresponding metal 3,6-di-tert-butylsemiquinolates was registered by ESR method. The different behavior of chlorides, bromides, and iodides was observed and rationalized basing on the dissimilar complexing ability of halogens. The mechanism of activated oxidation was assumed.