2-甲氧基对甲苯乙酸酯 | 879-67-4

• 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 - 苯酚酯
• 中文名称: 2-甲氧基对甲苯乙酸酯
• 中文别名: 乙酸-2-甲氧基-4-甲基苯酚酯；N-(6-乙氧基苯并噻唑-2-基)-2-巯基乙酰胺
• 英文名称: 2-methoxy-p-tolyl acetate
• 英文别名: 4-acetoxy-3-methoxy-toluene；Essigsaeure-(2-methoxy-4-methyl-phenylester)；(2-Methoxy-4-methyl-phenyl)-acetat；4-Acetoxy-3-methoxy-toluol；Homobrenzcatechin-3-methylaether-4-acetat；3-Methoxy-4-acetoxy-1-methyl-benzol；(2-methoxy-4-methylphenyl) acetate
• CAS: 879-67-4
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: OMYVQMNBUXUYLM-UHFFFAOYSA-N

物化性质

• 沸点：
  231.1±20.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)
• LogP：
  2.231 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  2-甲氧基对甲苯乙酸酯 在 硝酸 、 溶剂黄146 作用下， 生成 4-acetoxy-5-methoxy-2-nitro-toluene
  参考文献：
  名称：

  Cardwell; Robinson, Journal of the Chemical Society, 1915, vol. 107, p. 258

  摘要：

  DOI：
• 作为产物：
  描述：

  4-acetoxy-4-methyl-2,5-cyclohexanedienone 生成 2-甲氧基对甲苯乙酸酯
  参考文献：
  名称：

  �ber die thermische Umlagerung von Chinolacetaten

  摘要：

  DOI：

  10.1007/bf00901754

文献信息

• Zirconium(IV) Chloride as a New, Highly Efficient, and Reusable Catalyst for Acetylation of Phenols, Thiols, Amines, and Alcohols under Solvent-Free Conditions
  作者：Asit K. Chakraborti、Rajesh Gulhane

  DOI：10.1055/s-2004-815442

  日期：——

  chloride has been found to be a new. highly efficient, and reusable catalyst for acetylation of structurally diverse phenols, thiols, amines and alcohols under solvent-free condtions. Acetylation of sterically hindered and electron deficient phenols is achieved in excellent yields with stoichiometric amounts of Ac 2 O at room temperature. Acid-sensitive alcohols undergo acetylation with excellent chemoselectivity

  已发现氯化锆 (IV) 是一种新的。一种高效、可重复使用的催化剂，用于在无溶剂条件下对结构不同的酚、硫醇、胺和醇进行乙酰化。在室温下使用化学计量量的 Ac 2 O 以极好的收率实现空间位阻和缺电子酚的乙酰化。酸敏感醇以优异的化学选择性进行乙酰化，而不会发生脱水或重排等竞争性副反应。催化剂的温和路易斯酸性质使乙酰化能够与光学活性底物一起进行，而不会对光学纯度产生任何不利影响。
• [EN] PROCESS FOR OBTAINING 3,14-DIACETYLOXYMORPHONE FROM ORIPAVINE<br/>[FR] PROCÉDÉ D'OBTENTION DE 3,14-DIACÉTYLOXYMORPHONE À PARTIR D'ORIPAVINE
  申请人：ALCALIBER INVESTIGACIÓN DESARROLLO E INNOVACIÓN S L

  公开号：WO2017207519A1

  公开（公告）日：2017-12-07

  The present invention relates to a new process for obtaining 3,14-diacetyloxymorphone from oripavine, a process to transform the obtained 3,14-diacetyloxymorphone into a noroxymorphone and a process to transform said noroxymorphone into naloxone, naltrexone, nalbuphine, nalfurafine or nalmefene.

  本发明涉及一种从欧洲罂粟碱中获得3,14-二乙酰氧吗啡酮的新工艺，将获得的3,14-二乙酰氧吗啡酮转化为诺罂吗啡的过程，以及将所述诺罂吗啡转化为纳洛酮、纳曲酮、纳布啡、纳福啡或纳美非那的工艺。
• Method of Flavoring
  申请人：YANG Xiaogen

  公开号：US20090186138A1

  公开（公告）日：2009-07-23

  A method of providing a desirable vanilla beany flavor in an orally-receivable product, includes adding to a product base at least one of divanillyl succinate or at least one compound according to Formula I or Formula II in which R′ is selected from the group consisting of hydrogen, methyl and —CHO, and R is selected from the group consisting of hydrogen. C1-C10 linear alkyl. C3-C10 branched alkyl, C2-C10 linear alkenyl, C3-C10 branched alkenyl, C1-C10 hydroxyalkyl, C2-C10 carboxyalkyl, and tetrahydrofuranyl.

  一种在口服产品中提供理想的香草豆味道的方法，包括向产品基础中添加二香草酰基琥珀酸酯或根据化学式I或化学式II中至少一种化合物，其中R′选自氢、甲基和—CHO组成的群体，R选自氢、C1-C10线性烷基、C3-C10支链烷基、C2-C10线性烯基、C3-C10支链烯基、C1-C10羟基烷基、C2-C10羧基烷基和四氢呋喃基组成的群体。
• [EN] NOVEL MEDICINAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS MÉDICAUX
  申请人：AVIDIN KUTATO FEJLESZTOE ES KERESKEDELMI KORLATOLT

  公开号：WO2013041895A1

  公开（公告）日：2013-03-28

  The invention relates to novel compounds of general formula (I), and their preparation, pharmaceutical preparations containing compounds of general formula (I), and the use of these compounds in therapeutic procedures. The invention also relates to compounds of general formula (VI), which can be used as intermediates in the processes for the preparation of compounds of general formula (I).

  该发明涉及一般式（I）的新化合物，以及它们的制备、含有一般式（I）化合物的药物制剂，以及这些化合物在治疗程序中的使用。该发明还涉及一般式（VI）的化合物，可用作制备一般式（I）化合物的过程中的中间体。
• USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE
  申请人：Lane Heidi Alexandra

  公开号：US20140080872A1

  公开（公告）日：2014-03-20

  Use of phospho-Akt as a biomarker for predicting the response, such as resistance, to a compound, wherein phospho-Akt is Akt that has been phosphorylated on one or more residues, with the proviso that for Akt1, Akt2, and Akt3 the designation phospho-Akt is used to indicate phosphorylation at a site other than T308, T309 or T305 respectively, wherein the compound is a compound of general formula (I) wherein R represents phenyl, thienyl or pyridinyl wherein phenyl is optionally substituted by one or two substituents independently selected from alkyl, halo-lower alkyl, hydroxy-lower alkyl, lower alkoxy-lower alkyl, acyloxy-lower alkyl, phenyl, hydroxy, lower alkoxy, hydroxy-lower alkoxy, lower alkoxy-lower alkoxy, phenyl-lower alkoxy, lower alkylcarbonyloxy, amino, monoalkylamino, dialkylamino, lower alkoxycarbonylamino, lower alkylcarbonylamino, substituted amino wherein the two substituents on nitrogen form together with the nitrogen heterocyclyl, lower alkylcarbonyl, carboxy, lower alkoxycarbonyl, cyano, halogen, and nitro; and wherein two adjacent substituents are methylenedioxy; and wherein pyridinyl is optionally substituted by lower alkoxy, amino or halogen; X represents a group C═Y, wherein Y stands for oxygen or nitrogen substituted by hydroxy or lower alkoxy; R 1 represents hydrogen, lower alkylcarbonyl, hydroxy-lower alkyl or cyano-lower alkyl; R 2 , R 3 and R 6 represent hydrogen; R 4 and R 5 , independently of each other, represent hydrogen, lower alkyi or lower alkoxy; or R 4 and R 5 together represent methylenedioxy; and pharmaceutically acceptable derivatives thereof; or wherein R represents phenyl or pyridinyl wherein phenyl is optionally substituted by one or two substituents independently selected from alkyi, halo-lower alkyi, hydroxy-lower alkyi, lower alkoxy-lower alkyi, acyloxy-lower alkyi, phenyl, hydroxy, lower alkoxy, hydroxy-lower alkoxy, lower alkoxy-lower alkoxy, phenyl-lower alkoxy, lower alkylcarbonyloxy, amino, monoalkylamino, dialkylamino, lower alkoxycarbonylamino, lower alkylcarbonylamino, substituted amino wherein the two substituents on nitrogen form together with the nitrogen heterocyclyl, lower alkylcarbonyl, carboxy, lower alkoxycarbonyl, formyl, cyano, halogen, and nitro; and wherein two adjacent substituents are methylenedioxy; and wherein pyridinyl is optionally substituted by lower alkoxy, amino or halogen; X represents oxygen; R′ represents hydrogen, lower alkylcarbonyl, hydroxy-lower alkyl or cyano-lower alkyl; R 2 , R 3 and R 6 represent hydrogen; R 4 and R 5 , independently of each other, represent hydrogen, lower alkyl or lower alkoxy; or R 4 and R 5 together represent methylenedioxy; and pharmaceutically acceptable derivatives thereof. Methods of treatment of neoplastic and autoimmune diseases with these compounds are also disclosed.

  将磷酸化Akt作为一种生物标记物来预测对某化合物的反应，例如耐药性，其中磷酸化Akt是在一个或多个残基上磷酸化的Akt，条件是对于Akt1、Akt2和Akt3，磷酸化Akt的指定用于表示在T308、T309或T305之外的位置磷酸化，在此化合物是一般式(I)的化合物，其中R代表苯基、噻吩基或吡啶基，其中苯基可以选择性地被来自烷基、卤代较低烷基、羟基较低烷基、较低烷氧基较低烷基、酰氧较低烷基、苯基、羟基、较低烷氧基、羟基较低烷氧基、较低烷氧基较低烷氧基、苯基较低烷氧基、较低烷基羰基氧基、氨基、单烷基氨基、二烷基氨基、较低烷氧羰基氨基、较低烷基羰基氨基、取代氨基的一个或两个取代基，其中氮上的两个取代基与氮一起形成杂环烷基、较低烷基羰基、羧基、较低烷氧羰基、氰基、卤素和硝基；其中两个相邻的取代基是亚甲氧基；吡啶基可以选择性地被较低烷氧基、氨基或卤素取代；X代表基团C═Y，其中Y代表氧或氮，被羟基或较低烷氧基取代；R1代表氢、较低烷基羰基、羟基较低烷基或氰基较低烷基；R2、R3和R6代表氢；R4和R5，彼此独立地，代表氢、较低烷基或较低烷氧基；或R4和R5一起代表亚甲亚氧基；及其药用可接受的衍生物；或其中R代表苯基或吡啶基，其中苯基可以选择性地被来自烷基、卤代较低烷基、羟基较低烷基、较低烷氧基较低烷基、酰氧较低烷基、苯基、羟基、较低烷氧基、羟基较低烷氧基、较低烷氧基较低烷氧基、苯基较低烷氧基、较低烷基羰基氧基、氨基、单烷基氨基、二烷基氨基、较低烷氧羰基氨基、较低烷基羰基氨基、取代氨基的一个或两个取代基，其中氮上的两个取代基与氮一起形成杂环烷基、较低烷基羰基、羧基、较低烷氧羰基、甲酰基、氰基、卤素和硝基；其中两个相邻的取代基是亚甲亚氧基；吡啶基可以选择性地被较低烷氧基、氨基或卤素取代；X代表氧；R′代表氢、较低烷基羰基、羟基较低烷基或氰基较低烷基；R2、R3和R6代表氢；R4和R5，彼此独立地，代表氢、较低烷基或较低烷氧基；或R4和R5一起代表亚甲亚氧基；及其药用可接受的衍生物。还公开了使用这些化合物治疗肿瘤和自身免疫疾病的方法。