3-(dimethylamino)acrylophenone

• 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: 3-(dimethylamino)acrylophenone
• 英文别名: 3-dimethylaminoacrylophenone；(e)-3-Dimethylamino-phenylprop-2-en-1-one；1-[3-(dimethylamino)phenyl]prop-2-en-1-one
• 化学式: C₁₁H₁₃NO
• 分子量: 175.23
• InChiKey: YBEWVVMYEJYPME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)acrylophenone 在 碳酸氢钠 、 三氟乙酸酐 作用下， 以 hydrous magnesium silicate 、 正己烷 、 二氯甲烷 、 溶剂黄146 为溶剂， 生成 2,2,2-trifluoro-1-(7-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-ethanone
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines

  摘要：

  这份披露描述了具有抗焦虑活性的取代嘧啶并[1,5-a]吡唑嘧啶和咪唑[1,5-a]吡咯啉。

  公开号：

  US04178449A1
• 作为产物：
  描述：

  苯乙酮 以 正己烷 为溶剂， 生成 3-(dimethylamino)acrylophenone
  参考文献：
  名称：

  4,8-disubstituted-1,2-dihydro and 1,2,3,4-tetrahydroimidazo-[1,5-a]

  摘要：

  本披露描述了新型的4,8-二取代-1,2-二氢和1,2,3,4-四氢咪唑[1,5-a]嘧啶，可作为哺乳动物的降压剂和/或抗焦虑剂，并作为生物活性化合物的合成中间体。

  公开号：

  US04888345A1

文献信息

• Substituted-6H,8H-pyrimido-[1,2,3-cd]purine-8,10-(9H)-diones and
  申请人：American Cyanamid Company

  公开号：US04904658A1

  公开（公告）日：1990-02-27

  Substituted-6H,8H-pyrimido[1,2,3-cd]purine-8,10(9H)-diones and substituted-6H,10H-pyrimido[1,2-cd]purin-10-ones which are useful as cognition enhancing agents, anxiolytic agents and/or antihypertensive agents in the treatment of cognitive and relative neutral behavioral problems, anxiety and hypertension in mammals.

  Substituted-6H,8H-嘧啶并[1,2,3-cd]嘌呤-8,10(9H)-二酮和替代的6H,10H-嘧啶并[1,2-cd]嘌呤-10-酮，可用作改善认知、抗焦虑和/或降压剂，用于治疗哺乳动物的认知和相关神经行为问题、焦虑和高血压。
• 3-phenyl-2-propeneamine derivatives, their preparation and compositions
  申请人：Rhone-Poulenc Sante

  公开号：US04686309A1

  公开（公告）日：1987-08-11

  The invention provides compounds of formula: ##STR1## in which R=H, halogen, alkyl, alkyloxy, alkythio, NH.sub.2, alkylamino, dialkylamino or CF.sub.3, R.sub.3 =H or alkyl, either R.sub.4 and R.sub.5 =H and R.sub.1 and R.sub.2 =H or alkyl, optionally substituted by alkenyl (2 to 4 C) or alternatively R.sub.1 and R.sub.2 form together a saturated heterocyclic ring containing 4 to 7 ring members and optionally containing another heteroatom such as O, S or N optionally substituted by alkyl, or R.sub.4 =H, R.sub.1 =H or alkyl and R.sub.2 and R.sub.5 together form an alkylene (3 to 4 C) radical and (i) either A=alkyl or phenyl which is unsubstituted or substituted by one or two substituents chosen from halogen, alkyl, alkyloxy, alkylthio, NH.sub.2, alkylamino, dialkylamino, NO.sub.2 or CF.sub.3 or alternatively A=pyridyl, benzyl or cycloalkyl (3 to 6C), Y=S, SO or SO.sub.2 or a radical: ##STR2## in which R.sub.6 =H or alkyl and R.sub.7 =H or alkylcarbonyl, alkyloxycarbonyl, alkylaminocarbonyl or benzoyl, optionally substituted by one or two halogen, alkyl, alkyloxy, alkylthio, NH.sub.2, alkylamino, dialkylamino, NO.sub.2 or CF.sub.3 groups, (ii) or Y and A together form a 1-hydroxycycloalkyl radical, the ring of which contains 5 or 6 C, optionally joined to a benzene ring, it being understood that the alkyl radicals and alkyl parts contain 1 to 4 C as a straight or branched chain, and that the invention relates to all the possible geometric and optical isomers as well as their mixtures. These compounds are useful as antidepressants.

  本发明提供式（I）化合物： ##STR1## 其中R=H、卤素、烷基、烷氧基、烷硫基、NH2、烷基氨基、二烷基氨基或CF3，R3=H或烷基，R4和R5=H且R1和R2=H或烷基，任选被2至4个碳的烯基取代；或者R1和R2一起形成含有4至7个环成员的饱和杂环环，任选含有另一个杂原子如O、S或N，任选被烷基取代；或者R4=H，R1=H或烷基，R2和R5一起形成3至4个碳的亚烷基基团；（i）A=烷基或苯基，未被取代或被一个或两个选自卤素、烷基、烷氧基、烷硫基、NH2、烷基氨基、二烷基氨基、NO2或CF3的取代基取代；或者A=吡啶基、苄基或3至6个碳的环烷基；Y=S、SO或SO2或基团： ##STR2## 其中R6=H或烷基，R7=H或烷基羰基、烷氧基羰基、烷基氨基羰基或苯甲酰基，任选被一个或两个卤素、烷基、烷氧基、烷硫基、NH2、烷基氨基、二烷基氨基、NO2或CF3基团取代；（ii）或者Y和A一起形成1-羟基环烷基基团，其环含有5或6个碳，任选与苯环稠合；其中烷基基团和烷基部分含有1至4个碳，可以是直链或支链；本发明涉及所有可能的几何异构体和光学异构体以及它们的混合物。这些化合物作为抗抑郁药有用。
• Adenosine receptor ligands and their use in the treatment of disease
  申请人：——

  公开号：US20010027196A1

  公开（公告）日：2001-10-04

  The invention relates to cyclic heteroaromatic compounds, containing at least one nitrogen atom, and to their use in the manufacture of medicaments for the treatment of diseases, related to adenosine receptor modulators, such as Alzheimer's disease, Parkinson's disease, neuroprotection, schizophrenia, anxiety, pain, respiration deficits, depression, asthma, allergic responses, hypoxia, ischaemia, seizure, substance abuse, sedation and they may be active as muscle relaxants, antipsychotics, anti epileptics, anticonvulsants and cardiaprotective agents.

  这项发明涉及含有至少一个氮原子的环状杂芳化合物，以及它们在制造用于治疗与腺苷受体调节剂相关的疾病的药物中的应用，如阿尔茨海默病、帕金森病、神经保护、精神分裂症、焦虑、疼痛、呼吸功能障碍、抑郁症、哮喘、过敏反应、缺氧、缺血、癫痫、物质滥用、镇静，它们可能作为肌肉松弛剂、抗精神病药、抗癫痫药、抗惊厥药和心脏保护剂而具有活性。
• (Substituted-phenyl)-1,2,4-triazolo[4,3-a]-pyrimidines and
  申请人：American Cyanamid Company

  公开号：US04209621A1

  公开（公告）日：1980-06-24

  This disclosure describes substituted 1,2,4-triazolo[1,5-a]pyrimidines and substituted 1,2,4-triazolo[4,3-a]pyrimidines which possess anxiolytic activity.

  这份披露描述了具有抗焦虑活性的取代的1,2,4-三氮唑[1,5-a]嘧啶和取代的1,2,4-三氮唑[4,3-a]嘧啶。
• 4,5,6-Substituted-2-pyrimidinamines
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0233461A2

  公开（公告）日：1987-08-26

  This disclosure describes novel 4,5,6-substituted-N-(substituted-phenyl)-2-pyrimidinamines having anti-asthmatic activity.

  本公开介绍了具有抗哮喘活性的新型 4,5,6-取代-N-（取代苯基）-2-嘧啶胺。