2-methoxy-4,5-dimethylbenzaldehyde | 86582-31-2

• 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: 2-methoxy-4,5-dimethylbenzaldehyde
• 英文别名: 4,5-dimethyl-2-methoxybenzaldehyde；4,5-Dimethyl-2-methoxybenzaldehyd；2-methoxy-4,5-dimethyl-benzaldehyde；2-Methoxy-4,5-dimethyl-benzaldehyd
• CAS: 86582-31-2
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: BFVZDEJGUQFXCV-UHFFFAOYSA-N

物化性质

• 熔点：
  66-67 °C
• 沸点：
  282.8±35.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-4,5-dimethylbenzaldehyde 在 氯仿 、 臭氧 作用下， 生成 2-甲氧基-4,5-二甲基苯酚
  参考文献：
  名称：

  Spaeth; Pailer; Gergely, Chemische Berichte, 1940, vol. 73, p. 795,802

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二甲基茴香醚 、 N-甲基甲酰苯胺 在 三氯氧磷 作用下， 生成 2-methoxy-4,5-dimethylbenzaldehyde
  参考文献：
  名称：

  The Determination of Double-bond Character in Cyclic Systems. III. Indan and o-Xylene

  摘要：

  DOI：

  10.1021/ja01614a032

文献信息

• Substituted benzylaminoquinuclidines as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US05604241A1

  公开（公告）日：1997-02-18

  Compounds useful in the treatment of inflammatory disorders, central nervous system disorders and other disorders of the formula I ##STR1## and the pharmaceutically-acceptable salts thereof, wherein Ar.sup.1 and Ar.sup.2 are each independently aryl or substituted aryl; R.sup.1 is alkyl having from 1 to 6 carbon atoms; R.sup.2 is hydrogen or alkyl having from 1 to 6 carbon atoms; and either X and Y are taken separately and they are each, independently, hydrogen, dialkylphosphoryl having 2 to carbon atoms, alkyl having from 1 to 6 carbon atoms, alkenyl having from 2 to 6 carbon atoms or alkynyl having from 2 to 6 carbon atoms; or X and Y are taken together and they represent a hydrocarbon chain having 3, 4, or 5 carbon atoms, optionally containing up to 2 double bonds and optionally having 1 or 2 substituents selected from oxo, hydroxy and alkyl having from 1 to 6 carbon atoms; or Y is methoxy when X is ethyl; provided that when X and Y are taken together they are attached to adjacent carbon atoms; and provided that if either X or Y is hydrogen, then the other one must be alkenyl or alkynyl; and provided that when Y is methoxy and X is ethyl, then Y is at the 4-position and X is at the 5-position, Ar.sup.1 or Ar.sup.2 must each be phenyl, R.sup.1 is methyl and R.sup.2 is hydrogen.

  用于治疗炎症性疾病、中枢神经系统疾病和其他公式I的化合物##STR1##及其药用盐，其中Ar.sup.1和Ar.sup.2分别独立地为芳基或取代芳基；R.sup.1为具有1至6个碳原子的烷基；R.sup.2为氢或具有1至6个碳原子的烷基；X和Y分别取，并且它们分别独立地为氢、具有2至碳原子的二烷基磷酰基、具有1至6个碳原子的烷基、具有2至6个碳原子的烯基或具有2至6个碳原子的炔基；或者X和Y一起取，并且它们代表具有3、4或5个碳原子的碳氢链，可选地含有最多2个双键，并且可选地具有1或2个从氧代、羟基和具有1至6个碳原子的烷基中选择的取代基；或者当X为乙基时，Y为甲氧基；前提是当X和Y一起取时，它们连接到相邻的碳原子上；并且如果X或Y中的任一个为氢，则另一个必须为烯基或炔基；并且当Y为甲氧基且X为乙基时，Y位于4位，X位于5位，Ar.sup.1或Ar.sup.2必须为苯基，R.sup.1为甲基，R.sup.2为氢。
• BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B
  申请人：COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

  公开号：US20150051173A1

  公开（公告）日：2015-02-19

  Compounds with unique liphagane meroterpenoid scaffold having boronic acid functionality in the skeleton are described (formula 1) together with pharmacological potential of these compounds as anticancer agents. A method of preparation and inhibiting the activity of phosphoinositide-3-kinase (PI3K-alpha and beta) has been presented. In particular, the invention describes a method of inhibiting PI3K isoforms, wherein the compounds are novel structures based on liphagane scaffold with unique boronic acid functionality. The methods and uses thereof are described herein this invention.

  描述了具有硼酸功能性的独特脂肪环萜类化合物骨架的化合物（式1），以及这些化合物作为抗癌药物的药理潜力。提出了一种制备方法和抑制磷脂酰肌醇-3-激酶（PI3K-alpha和beta）活性的方法。具体而言，本发明描述了一种抑制PI3K同工型的方法，其中这些化合物是基于脂肪环萜类骨架具有独特硼酸功能性的新结构。本发明描述了这些方法及其用途。
• Hydroxylated inhibitors of HIV reverse transcriptase
  申请人：MERCK & CO. INC.

  公开号：EP0481802A1

  公开（公告）日：1992-04-22

  Novel biotransformed or synthetic hydroxy pyridinones inhibit HIV reverse transcriptase, and are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, either as compounds, pharmaceutically acceptable salts (where appropriate), pharmaceutical composition ingredients, whether or not in combination with other antivirals, anti-infectives, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  新型生物转化或合成的羟基吡啶酮抑制HIV逆转录酶，在预防或治疗HIV感染以及治疗艾滋病方面具有用途，可以作为化合物、药学上可接受的盐（如适用）、药用组合成分，无论是否与其他抗病毒药物、抗感染药物、免疫调节剂、抗生素或疫苗结合。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• Synergism of HIV reverse transcriptase inhibitors
  申请人：MERCK & CO. INC.

  公开号：EP0484071A3

  公开（公告）日：1992-11-25

  The combination of certain aminopyridones and anti-HIV nucleoside analogs has been found to synergistically inhibit HIV reverse transcriptase. This combination is useful in the prevention or treatment of infection by HIV and the treatment of AIDS, either as a combination of compounds, pharmaceutically acceptable salts, pharmaceutical composition ingredients, whether or not in further combination with other antivirals, anti-infectives, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  已发现某些氨基吡啶酮类化合物与抗HIV核苷类类似物协同抑制HIV反转录酶。该组合在预防或治疗HIV感染以及治疗艾滋病方面具有用途，无论是作为化合物的组合、药学上可接受的盐、药物组成成分，还是与其他抗病毒药物、抗感染药物、免疫调节剂、抗生素或疫苗进一步组合与否。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• Synthesis and evaluation of 2-pyridinone derivatives as specific HIV-1 reverse transcriptase inhibitors. 3. Pyridyl and phenyl analogs of 3-aminopyridin-2(1H)-one
  作者：John S. Wai、Theresa M. Williams、Dona L. Bamberger、Thorsten E. Fisher、Jacob M. Hoffman、Ronald J. Hudcosky、Suzanne C. MacTough、Clarence S. Rooney、Walfred S. Saari

  DOI：10.1021/jm00054a009

  日期：1993.1

  virus type 1 (HIV-1) reverse transcriptase (RT) inhibitors, a series of 3-[(pyridylmethyl)amino]- and 3-[(phenylmethyl)amino]-2-pyridinone derivatives was synthesized and tested for HIV-1 RT inhibitory activity. The more potent compounds have a 2'-methoxy group and 4'- and/or 5'-aliphatic substituents on the pyridyl and phenyl rings. Several of the more potent compounds were also evaluated for antiviral

  在努力开发新型的非核苷，特定的人类免疫缺陷病毒1型（HIV-1）逆转录酶（RT）抑制剂时，一系列3-[（（吡啶甲基））]和3-[（（苯基甲基））] [-2]合成了吡啶酮衍生物，并测试了其对HIV-1 RT的抑制活性。更有效的化合物在吡啶基和苯环上具有2'-甲氧基和4'-和/或5'-脂族取代基。还评估了几种更有效的化合物在MT-4细胞培养物中的抗病毒活性。从这一系列化合物中，3- [N-[（5-乙基-2-甲氧基-6-甲基-3-吡啶基）甲基]氨基] -5-乙基-6-甲基吡啶-2（1H）-一（6选择）进行临床评估。