5-乙基-1,2,3-三甲氧基苯 | 56438-71-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-乙基-1,2,3-三甲氧基苯
• 英文名称: 5-Ethyl-1,2,3-trimethoxybenzene
• 英文别名: 5-ethyl-1,2,3-trimethoxy-benzene；5-Aethyl-1,2,3-trimethoxy-benzol；3,4,5-Trimethoxy-ethylbenzol
• CAS: 56438-71-2
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: AZARHELIPHKHED-UHFFFAOYSA-N

物化性质

• 沸点：
  262.7±35.0 °C(Predicted)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-乙基-1,2,3-三甲氧基苯 在 氢碘酸 作用下， 生成 5-ethylbenzene-1,2,3-triol
  参考文献：
  名称：

  Mauthner, Journal fur praktische Chemie (Leipzig 1954), 1931, vol. <2> 129, p. 278

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 在 吡啶 、 sodium tetrahydroborate 作用下， 以 甲醇 、 苯 为溶剂， 生成 5-乙基-1,2,3-三甲氧基苯
  参考文献：
  名称：

  The Photochemistry of Methoxy-Substituted Benzyl Acetates and Benzyl Pivalates: Homolytic vs Heterolytic Cleavage

  摘要：

  The multiple methoxy-substituted benzyl acetates (3g-i) and benzyl pivalates (4g-i) have been photolyzed in methanol solution. The products of these reactions are derived from two critical intermediates; the benzyl radical/acyloxy radical pair and the benzyl cation/carboxylate anion pair. As predicted by the meta effect, the yield of ion-derived product, the methyl ether in this case, was enhanced by the presence of the m-methoxy groups. The yield of ether, for the acetate esters, varied from 2% for the 4-methoxy-substituted ester to 66% for the 3,4,5-trimethoxy-substituted ester. In contrast, the yield of ether, for the pivalate esters, varied from <1% for the 4-methoxy-substituted ester to 20% for the 3,4,5-trimethoxy-substituted one. The meta effect does not explain these differences; electron transfer converting the radical pair to the ion pair is still an important pathway in the mechanism for ion formation. A quantitative analysis of the yield of the ethers was done in order to obtain the electron-transfer rate constants. This analysis revealed that the yield of the ethers was higher than expected based on previous results for other substituted benzyl acetates. A possible explanation for this discrepancy is that internal return of the radical pair to starting material for the acetate esters is more efficient than for the pivalate esters. Also, the esters 3k and 3l, were prepared to study the effect of electron-withdrawing groups in the meta position. For these esters, the benzylic cleavage reactions were inefficient and an isomerization reaction, the benzvalene rearrangement, was competitive.

  DOI：

  10.1021/jo00098a016

文献信息

• [EN] 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE<br/>[FR] 2,4,6-TRIALCOXYSTYRYLARYLSULFONES, SULFONAMIDES ET CARBOXAMIDES, ET PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：WO2017023912A1

  公开（公告）日：2017-02-09

  Compounds according to Formula (I) are provided and salts thereof, wherein R1, R2, R3, R4, R5, R6, R13, A, X and Y are as defined herein. Methods for preparing compounds of Formula (I) are also provided, as well as methods of treating cellular proliferative disorders, such as cancer, using compounds of Formula (I).

  根据公式（I）提供化合物及其盐，其中R1、R2、R3、R4、R5、R6、R13、A、X和Y的定义如本文所述。还提供了制备公式（I）化合物的方法，以及利用公式（I）化合物治疗细胞增殖性疾病，如癌症的方法。
• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS D'HISTONE DEACETYLASE
  申请人：METHYLGENE INC

  公开号：WO2005030704A1

  公开（公告）日：2005-04-07

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制组蛋白去乙酰化酶。该发明提供了抑制组蛋白去乙酰化酶酶活性的化合物和方法。该发明还提供了治疗细胞增殖性疾病和症状的组合物和方法。
• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040054173A1

  公开（公告）日：2004-03-18

  Compounds having activity against production of an inflammatory cytokine of formula (I)′: 1 A′ is pyrrole; R 1′ is phenyl or naphthyl; R 2′ is pyridyl or pyrimidinyl; R 3′ is (IIa)′, (IIb)′ or (IIc)′: 2 m′ is 1; E′ is nitrogen; D′ is >C(R 5′ )—, R 5′ is hydrogen, Substituent &agr;′ or Substituent &bgr;′; B′ is nitrogen-containing 5-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent &agr;′, Substituent &bgr;′ and Substituent &ggr;′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent &agr;′ is hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent &bgr;′ is alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent &ggr;′ is oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  具有对抗公式(I)′炎症细胞因子生成活性的化合物： 1 A′是吡咯；R 1′ 是苯基或萘基；R 2′ 是吡啶基或嘧啶基；R 3′ 是(IIa)′，(IIb)′或(IIc)′： 2 m′是1；E′是氮；D′是>C(R 5′ )—, R 5′ 是氢，取代基α′或取代基β′；B′是含氮的5-成员杂环；R 4′ 是来自取代基α′，取代基β′和取代基γ′的1至3个取代基；R 1′ 和R 3′ 分别与吡咯环上与R 2′ 相连的吡咯原子的两个相邻原子成键；取代基α′是羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基亚砜，卤代烷基亚砜或—NR a′ R b′ ；R a′ 和R b′ 是氢，烷基，烯基，炔基，芳烷基或烷基亚磺酰基，或者R a′ 和R b′ 与氮原子形成杂环；取代基β′是烷基，烯基，炔基，芳烷基或环烷基；取代基γ′是氧代，羟基亚胺，烷氧基亚胺，亚烷基，亚烷基二氧，烷基亚磺酰基，烷基亚磺酰基，芳基，芳氧基，亚烷基或芳亚烷基。
• Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same
  申请人：Kim Seon Mi

  公开号：US20130137661A1

  公开（公告）日：2013-05-30

  Disclosed are compounds useful as gonadotrophin-releasing hormone (“GnRH”) receptor antagonist.

  披露了作为促性腺激素释放激素（“GnRH”）受体拮抗剂有用的化合物。
• Kinase antagonists
  申请人：Knight A. Zachary

  公开号：US20070293516A1

  公开（公告）日：2007-12-20

  The present invention provides novel compounds that are antagonists of PI3 kinase, PI3 kinase and tryosine kinase, PI3Kinase and mTOR, or PI3Kinase, mTOR and tryosine kinase.

  本发明提供了一种新型化合物，它们是 PI3 激酶、PI3 激酶和酪氨酸激酶、PI3 激酶和 mTOR，或者 PI3 激酶、mTOR 和酪氨酸激酶的拮抗剂。