4-氨基-2,3-二甲基苯甲醛 | 63405-89-0

• 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: 4-氨基-2,3-二甲基苯甲醛
• 英文名称: 4-Amino-2.3-dimethylbenzaldehyd
• 英文别名: 4-Amino-2,3-dimethylbenzaldehyde
• CAS: 63405-89-0
• 化学式: C₉H₁₁NO
• mdl: MFCD18824454
• 分子量: 149.192
• InChiKey: SGAOBLLZTAZOGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  4-氨基-2,3-二甲基苯甲醛 、 3-甲基-2-吡唑啉-5-酮 、 丙二腈 以 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  他克林-吡喃并吡唑衍生物的级联合成，体外胆碱酯酶的抑制活性和对接研究

  摘要：

  在这项工作中，我们描述了一些用吡喃并吡唑部分修饰的新他克林类似物的制备。3- Fedländer缩合反应的3-甲基-1 H-吡唑-5（4 H）-一，芳基（或杂）醛，丙二腈和环己酮的一锅多组分反应生成标题化合物。为了寻找有效的胆碱酯酶抑制剂，在体外评估了该分子的合成杂环类似物的AChE和BChE抑制活性。大多数合成的化合物显示出显着的AChE抑制活性，IC 50值为0.044至5.80 µM，其中化合物5e和5j被发现是最有效的抗AChE抑制剂，IC 50值分别为0.058和0.044 µM。AChE和BChE受体的分子模型模拟显示，IC 50值与停靠在其相关酶的活性位点的活性最高的抑制剂的结合相互作用模板之间具有良好的相关性。

  DOI：

  10.1016/j.bmcl.2018.05.063
• 作为产物：
  描述：

  1,2,3-三甲基-4-硝基-苯 、 乙醇 以3%的产率得到
  参考文献：
  名称：

  BURGESS D. A.; RAE I. D., AUSTRAL. J. CHEM., 1977, 30, NO 4,

  摘要：

  DOI：

文献信息

• [EN] MCHIR ANTAGONISTS<br/>[FR] ANTAGONISTES DU MCH1R
  申请人：ASTRAZENECA AB

  公开号：WO2004004726A1

  公开（公告）日：2004-01-15

  The present invention provides compounds of formula (I), wherein R1 represents a C1-4alkoxy group optionally substituted by one or more fluoro or a C1-4alkyl group optionally substituted by one or more fluoro; n represents 0 or 1; R2 represents a C1-4alkyl group optionally substituted by one or more fluoro or a C1-4alkoxy group optionally substituted by one or more fluoro; m represents 0 or 1; R3 represents H or a C1-4alkyl group; L1 represents an alkylene chain (CH2)r in which r represents 2 or 3 or L1 represents a cyclohexyl group wherein the two nitrogens bearing R3 and R4, respectively, are linked to the cyclohexyl group either via the 1,3 or the 1,4 positions of the cyclohexyl group or L1 represents a cyclopentyl group wherein the two nitrogens bearing R3 and R4, respectively, are linked to the cyclopentyl group via the 1,3 position of the cyclopentyl group and additionally when R5 represents 9, 10-methanoanthracen-9(10H)-yl the group -L1-N(R4)- together represents a piperidyl ring which is linked to L2 through the piperidinyl nitrogen and to N-R3 via the 4 position of the piperidyl ring with the proviso that when R5 represents 9, 10-methanoanthracen-9(10H)-yl then r is only 2; R4 represents H or a C1-4alkyl group optionally substituted by one or more of the following: an aryl group or a heteroaryl group; L2 represents a bond or an alkylene chain (CH2)s in which s represents 1, 2 or 3 wherein the alkylene chain is optionally substituted by one or more of the following: a C1-4alkyl group, phenyl or heteroaryl; R5 represents aryl, a heterocyclic group or a C3-8cycloalkyl group which is optionally fused to a phenyl or to a heteroaryl group; as well as optical isomers and racemates thereof as well as pharmaceutically acceptable salts, thereof; with provisos, processes for preparing such compounds, their use in the treatment of obesity, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy, and related conditions, and neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheier's disease and pain related disorders and to pharmaceutical compositions containing them.

  本发明提供了以下式（I）的化合物，其中R1代表一个C1-4烷氧基团，该基团可以选择地被一个或多个氟或一个C1-4烷基基团选择性地取代；n代表0或1；R2代表一个C1-4烷基基团，该基团可以选择地被一个或多个氟或一个C1-4烷氧基团选择性地取代；m代表0或1；R3代表H或一个C1-4烷基基团；L1代表一个烷基链（CH2）r，其中r代表2或3，或者L1代表一个环己基团，其中分别带有R3和R4的两个氮原子通过环己基团的1,3位或1,4位连接到环己基团，或者L1代表一个环戊基团，其中分别带有R3和R4的两个氮原子通过环戊基团的1,3位连接到环戊基团，另外当R5代表9,10-甲基蒽-9(10H)-基时，-L1-N(R4)-群共同代表一个通过哌啶环与L2通过哌啶氮连接并通过哌啶环的4位与N-R3连接的哌啶环，但当R5代表9,10-甲基蒽-9(10H)-基时，r仅为2；R4代表H或一个C1-4烷基基团，该基团可以选择地被以下之一或多个取代：芳基或杂芳基；L2代表一个键或一个烷基链（ ）s，其中s代表1,2或3，其中该烷基链可以选择地被以下之一或多个取代：一个C1-4烷基基团，苯基或杂芳基；R5代表芳基，一个杂环基团或一个C3-8环烷基基团，该基团可以选择地与苯基或杂芳基融合；以及它们的光学异构体和拉氏体，以及其药学上可接受的盐；具有特定条件，制备这种化合物的方法，它们在治疗肥胖症、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫、以及相关疾病，以及神经系统疾病如痴呆症、多发性硬化症、帕金森病、亨廷顿舞蹈症、阿尔茨海默病和与疼痛相关的疾病的治疗中的用途，以及含有它们的药物组合物。
• Polymerizable composition and compound therefor
  申请人：Fuji Photo Film Co., Ltd.

  公开号：EP1466893A1

  公开（公告）日：2004-10-13

  To provide a polymerizable composition suitable for a lithographic printing plate precursor which can satisfy the requirements of high sensitivity, excellent storage stability and long press life and enables direct platemaking from digital data from computer, etc. when recording is conducted a solid laser or semiconductor laser emitting ultraviolet ray, visible light or infrared ray and a compound therefore, the present invention relates to a photoradical polymerizable composition comprising a polyfunctional crosslinking agent having a specific structure represented by formula (I) or (II) defined in the specification.

  提供一种适用于光刻印刷版前体的可聚合组合物，该组合物能够满足高灵敏度、优异的储存稳定性和长压印寿命的要求，并且在进行记录时可以直接从计算机等数字数据中制版，所述记录是通过固体激光或半导体激光发射紫外线、可见光或红外线以及一种化合物进行的。因此，本发明涉及一种包括具有特定结构的多功能交联剂的光自由基聚合组合物，所述结构由规范中定义的式(I)或(II)表示。
• SUBSTANCES FOR DYEING KERATINOUS FIBERS
  申请人：Gross Wibke

  公开号：US20100037909A1

  公开（公告）日：2010-02-18

  Disclosed are substances which contain unsaturated, non-aromatic dialdehydes of formula (Ia) and/or the tautomer (Ib) thereof, wherein R 1 , R 2 , and R 3 are defined as indicated in claim 1 , along with at least one CH-acidic compound of formulas (II) and/or (III), wherein R 6 , R 7 , R 8 , R 9 , R 10 , Y, X − , Het, and X 1 are defined as indicated in claim 1 , in a cosmetic carrier. Said substances color keratinous fibers, especially human hair, in an intensive, colorfast, natural brown shade.

  本发明涉及一种含有式(Ia)和/或其互变异构体(Ib)的不饱和非芳香二醛的物质，其中R1、R2和R3如权利要求1所示定义，以及至少一种式(II)和/或(III)的CH-酸性化合物，其中R6、R7、R8、R9、R10、Y、X−、Het和X1如权利要求1所示定义，在一种化妆品载体中。所述物质能够使角质纤维，尤其是人类头发，在一种浓郁、色牢、自然棕色的色调中着色。
• Sulfonium salt, curable composition, ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate
  申请人：Tsuchimura Tomotaka

  公开号：US20070197677A1

  公开（公告）日：2007-08-23

  A sulfonium salt is provided that has a cation represented by Formula (II) (R 1′ to R 13′ in Formula (II) independently denote a hydrogen atom or a substituent, and may be bonded to each other to form a ring, provided that at least one of R 1′ to R 8′ denotes a halogen atom or a haloalkyl group). There are also provided a curable composition that includes the sulfonium salt, and an ink composition that includes the curabie composition. Furthermore, there are also provided an inkjet recording method employing the ink composition, and a process for producing a lithographic printing plate, the process including discharging the ink composition onto a hydrophilic support. A printed material and a lithographic printing plate thus obtained are also included in the present invention.

  提供一种具有由化学式（II）表示的阳离子的硫铵盐（其中，化学式（II）中的R1'到R13'独立地表示氢原子或取代基，并且它们可以结合在一起形成环，前提是R1'到R8'中至少有一个表示卤素原子或卤代烷基）。还提供了包括该硫铵盐的可固化组合物，以及包括该可固化组合物的油墨组合物。此外，还提供了一种采用该油墨组合物的喷墨记录方法，以及生产平版印刷版的工艺，其中该工艺包括将油墨组合物排放到亲水性支撑体上。本发明还包括由此获得的印刷材料和平版印刷版。
• (METH)ACRYLIC ACID ESTER, ACTIVATION ENERGY RAY CURING COMPOSITION, AND INKJET RECORDING INK
  申请人：MORITA Mitsunobu

  公开号：US20130144057A1

  公开（公告）日：2013-06-06

  (Meth)acrylic acid ester, which contains one or more partial structures each represented by the following formula 1 in a molecule thereof, wherein the partial structure is a urethane structure which does not have a hydrogen atom directly bonded to a nitrogen atom of the following formula 1: where the nitrogen atom is not bonded to a hydrogen atom.

  (Meth)acrylic acid ester，其中每个分子含有一个或多个由以下式1表示的部分结构，其中该部分结构是一种脲酯结构，不具有直接与以下式1中的氮原子结合的氢原子：其中氮原子未与氢原子结合。