1,3-dimethoxy-5-ethylbenzene | 51768-56-0

• 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: 1,3-dimethoxy-5-ethylbenzene
• 英文别名: 3,5-dimethoxyethylbenzene；ethyl-3,5-dimethoxybenzene；1-ethyl-3,5-dimethoxy-benzene；1-Aethyl-3,5-dimethoxy-benzol；5-Aethyl-resorcin-dimethylaether；1-Ethyl-3,5-dimethoxybenzene
• CAS: 51768-56-0
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: CDQDCHVJLUPXEF-UHFFFAOYSA-N

物化性质

• 沸点：
  117-118 °C(Press: 12 Torr)
• 密度：
  0.976±0.06 g/cm3(Predicted)
• 保留指数：
  1332

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1,3-dimethoxy-5-ethylbenzene 在 盐酸 、 乙醚 、 氢碘酸 、 溶剂黄146 、 丙酮 作用下， 生成 2-ethyl-4-benzyloxy-6-hydroxy-benzaldehyde-oxime
  参考文献：
  名称：

  Brown et al., Journal of the Chemical Society, 1949, p. 859,866

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲氧基苄醇 在 吡啶 作用下， 以 苯 为溶剂， 生成 1,3-dimethoxy-5-ethylbenzene
  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] SUBSTITUTED QUINAZOLINES AS FUNGICIDES<br/>[FR] QUINAZOLINES SUBSTITUÉES, UTILISÉES EN TANT QUE FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2010136475A1

  公开（公告）日：2010-12-02

  The present invention relates to a compound of formula (I) wherein wherein the substituents have the definitions as defined in claim 1or a salt or a N-oxide thereof, their use and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  本发明涉及一种具有如下式（I）的化合物，其中取代基具有权利要求1中定义的定义，或其盐或N-氧化物，它们的用途以及用于控制和/或预防植物中微生物感染，特别是真菌感染的方法，以及制备这些化合物的方法。
• DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS
  申请人：ALTENBURGER Jean-Michel

  公开号：US20110294788A1

  公开（公告）日：2011-12-01

  The present invention relates to novel substituted dihydropyrazolone derivatives, to their preparation and to their therapeutic use as activators of the transcription factor HIF.

  本发明涉及新型取代二氢吡唑酮衍生物，其制备以及作为转录因子HIF激活剂的治疗用途。
• [EN] 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES DE 2,3,6-TRISUBSTITUE 4-PYRIMIDONE
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2004085408A1

  公开（公告）日：2004-10-07

  A pyrimidone derivative having tau protein kinase 1 inhibitory activity which is represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof; useful for prventive and/or therapeutic treatment of diseass such as neurodegenerative diseases (e.g. Alzheimer disease); wherein Q represents CH or nitrogen atom; R represents a C1-C12 alkyl group; the ring of Formula (I): represents piperazine ring or piperidine ring; each X independently represents a C1-C8 alkyl group, an optionally partially hydrogenated C6-C10 aryl ring, an indan ring or the like; m represents an integer of 1 to 3; each Y independently represents a halogen atom, a hydroxy group, a cyano group, a C1-C6 alkyl group or the like; n represents an integer of 0 to 8; when X and Y or two Y groups are attached on the same carbon atom, they may combine to each other to form a C2-C6 alkylene group.

  一种具有tau蛋白激酶1抑制活性的嘧啶酮衍生物，其由化学式（I）或其盐、溶剂合物或水合物表示；用于预防和/或治疗神经退行性疾病（例如阿尔茨海默病）；其中Q代表CH或氮原子；R代表C1-C12烷基基团；化学式（I）的环：代表哌嗪环或哌啶环；每个X独立地代表C1-C8烷基基团、可选择性部分氢化的C6-C10芳环、茚环或类似物；m代表1到3的整数；每个Y独立地代表卤素原子、羟基、氰基、C1-C6烷基基团或类似物；n代表0到8的整数；当X和Y或两个Y基团连接在同一碳原子上时，它们可以结合形成C2-C6烷基基团。
• SUBSTITUTED QUINAZOLINES AS FUNGICIDES
  申请人：Quaranta Laura

  公开号：US20120129875A1

  公开（公告）日：2012-05-24

  The present invention relates to a compound of formula (I) wherein the substituents have the definitions as defined in claim 1 or a salt or a N-oxide thereof, their use and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  本发明涉及一种具有如权利要求1中定义的取代基定义的化合物的公式(I)，或其盐或N-氧化物，它们的用途以及用于控制和/或预防植物中微生物感染，特别是真菌感染的方法，以及制备这些化合物的方法。
• 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20170166552A1

  公开（公告）日：2017-06-15

  The present invention provides a 1,4-disubstituted imidazole derivative of formula (1′) wherein ring Q 1 is optionally-substituted C 6-10 aryl group, etc.; R 1 and R 2 are independently hydrogen atom, etc.; W 1 is optionally-substituted C 1-4 alkylene group; W 2 is —NR 3a C(O)— wherein R 3a is hydrogen atom or C 1-6 alkyl group, etc.; ring Q 2 is 5- to 10-membered heteroaryl group, etc.; W 3 is optionally-substituted C 1-4 alkylene group, etc.; n is 1, 2, 3, 4, or 5; R 4 is independently halogen atom, optionally-substituted C 1-6 alkyl group, etc.; R 5 is hydroxy group, etc.; and a pharmacologically acceptable salt thereof, which have a potent inhibitory effect on the sphere-forming capacity of cancer cells and are useful as an orally-available anti-tumor agent.

  本发明提供了一种公式（1'）的1,4-二取代咪唑衍生物，其中环Q1是可选取代的C6-10芳基等；R1和R2分别是氢原子等；W1是可选取代的C1-4烷基烯基；W2是—NR3aC(O)—，其中R3a是氢原子或C1-6烷基等；环Q2是5-到10-成员杂芳基等；W3是可选取代的C1-4烷基烯基等；n为1, 2, 3, 4或5；R4是独立的卤原子、可选取代的C1-6烷基等；R5是羟基等；以及其药理学上可接受的盐，对癌细胞的球形形成能力具有强大的抑制作用，并且作为口服抗肿瘤药剂是有用的。