α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanamine | 488098-44-8

• 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: α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanamine
• 英文别名: {1-[3,5-bis(trifluoromethyl)phenyl]-1-methylethyl}amine；2-(3,5-Bis(trifluoromethyl)phenyl)propan-2-amine；2-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine
• CAS: 488098-44-8
• 化学式: C₁₁H₁₁F₆N
• 分子量: 271.205
• InChiKey: BWWQVJIHVIRPIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanamine 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4
• 作为产物：
  描述：

  methyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoate 在 lithium hydroxide 、 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 生成 α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanamine
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4

文献信息

• [EN] N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS<br/>[FR] COMPOSES DE N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE EN TANT QU'INHIBITEURS DE RECAPTAGE DE LA TACHYKININE ET/OU DE LA SEROTONINE
  申请人：GLAXO GROUP LTD

  公开号：WO2004005255A1

  公开（公告）日：2004-01-15

  The present invention relates to heterocyclic derivatives of formula (1) wherein R1 represents a 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms, or R1 represents a 4,5 or 6 membered heterocyclic group, wherein saids 5 or 6 membered heteroaryl or the 4,5 or 6 membered heterocyclic group may optionally be substituted by one to three substituents, which may be the same or different, selected from (CH2)pR6, wherein p is zero or an integer from 1 to 4 and wherein R and R2- R6 are each as defined in the description and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  本发明涉及式（1）的杂环衍生物，其中R1代表一个5或6成员杂芳基团，在其中5成员杂芳基团至少含有氧、硫或氮中选择的一个杂原子，而6成员杂芳基团含有1至3个氮原子，或者R1代表一个4、5或6成员杂环基团，其中所述的5或6成员杂芳基或4、5或6成员杂环基团可以选择地被1至3个取代基取代，所述取代基可以相同或不同，选择自(CH2)pR6，其中p为零或1至4的整数，其中R和R2-R6如描述中定义，并且其药学上可接受的盐和溶剂化合物；其制备方法及其在通过催产素介导的疾病和/或通过选择性抑制血清素再摄取转运蛋白的治疗中的用途。
• Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof
  申请人：Sekiguchi Yoshinori

  公开号：US20050197350A1

  公开（公告）日：2005-09-08

  The present invention relates to novel compounds of the Formula (I): which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及一种新的化合物，其化学式为(I)，该化合物作为MCH受体拮抗剂。这些组合物在制药组合物中的应用包括预防或治疗改善记忆功能、睡眠和觉醒、焦虑、抑郁、情绪障碍、癫痫、肥胖症、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗死、暴食症包括贪食症、厌食症、精神障碍包括躁郁症、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、物质滥用障碍和运动障碍包括帕金森病、癫痫和成瘾等。
• N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors
  申请人：Alvaro Giuseppe

  公开号：US20060058348A1

  公开（公告）日：2006-03-16

  The present invention relates to heterocyclic derivatives of formula (I) wherein R represents halogen, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; R 1 represents a 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms, or R 1 represents a 4, 5 or 6 membered heterocyclic group, wherein saids 5 or 6 membered heteroaryl or the 4, 5 or 6 membered heterocyclic group may optionally be substituted by one to three substituents, which may be the same or different, selected from (CH 2 ) p R 6 , wherein p is zero or an integer from 1 to 4 and R 6 is selected from: halogen, C 1-4 alkoxy, C 1-4 alkyl, C 3-7 cycloalkyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy, hydroxy, cyano, nitro, trifluoromethyl, carboxy, NH(C 1-4 alkyl), N(C 1-4 alkyl) 2 NH(C 3-7 cycloalkyl), N(C 1-4 alkyl)(C 3-7 cycloalkyl); NH(C 1-4 alkylOC 1-4 alkoxy), OC(O)NR 7 R 8 , NR 8 C(O)R 7 or C(O)NR 7 R 8 ; R 2 represents hydrogen, or C 1-4 alkyl; R 3 and R 4 independently represent hydrogen, C 1-4 alkyl or R 3 together with R 4 represents C 3-7 cycloalkyl; R 5 represents trifluoromethyl, S(O) q C 1-4 alkyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy, halogen or cyano; R 7 and R 8 independently represent hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; L is a single or a double bond; n is an integer from 1 to 3; m is zero or an integer from 1 to 3; q is zero or an integer from 1 to 2; provided that a) when L is a double bond, R 1 is not an optionally substituted 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms; b) the group R 1 is linked to the carbon atom shown as * via a carbon atom; and c) when the heteroatom contained in the group R 1 is substituted, p is not zero; and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

  本发明涉及公式（I）的杂环衍生物，其中R代表卤素、C1-4烷基、氰基、C1-4烷氧基、三氟甲基或三氟甲氧基；R1代表一个5或6成员的杂芳基团，其中5成员杂芳基团含有至少一个从氧、硫或氮中选择的杂原子，6成员杂芳基团含有从1到3个氮原子，或R1代表一个4、5或6成员的杂环基团，其中所述的5或6成员杂芳基或4、5或6成员的杂环基团可以选修为1至3个取代基，所述取代基可以是相同的或不同的，选自（CH2）pR6，其中p为零或1至4的整数，R6选自：卤素、C1-4烷氧基、C1-4烷基、C3-7环烷基、C1-4烷基（可选地取代为卤素、氰基或C1-4烷氧基）、羟基、氰基、硝基、三氟甲基、羧基、NH（C1-4烷基）、N（C1-4烷基）2NH（C3-7环烷基）、N（C1-4烷基）（C3-7环烷基）；NH（C1-4烷基OC1-4烷氧基）、OC（O）NR7R8、NR8C（O）R7或C（O）NR7R8；R2代表氢或C1-4烷基；R3和R4独立地代表氢、C1-4烷基或R3与R4一起代表C3-7环烷基；R5代表三氟甲基、S（O）qC1-4烷基、C1-4烷基、C1-4烷氧基、三氟甲氧基、卤素或氰基；R7和R8独立地代表氢、C1-4烷基或C3-7环烷基；L是单键或双键；n是1至3的整数；m是零或1至3的整数；q是零或1至2的整数；前提是a）当L是双键时，R1不是可选修饰的含有至少一个从氧、硫或氮中选择的杂原子的5或6成员杂芳基团，6成员杂芳基团含有从1到3个氮原子；b）R1团与所示碳原子通过碳原子相连；c）当R1团中含有的杂原子被取代时，p不为零；以及其药学上可接受的盐和溶剂酸化物；它们的制备过程及其在治疗由Tachykinins介导和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的用途。
• Photoredox‐Catalyzed Generation of Tertiary Anions from Primary Amines via a Radical Polar Crossover
  作者：Austin D. Marchese、Julia R. Dorsheimer、Tomislav Rovis

  DOI：10.1002/anie.202317563

  日期：2024.2.5

  radical-polar crossover strategy generating carbanions is reported. This so called “aza-Reformatsky” reaction leverages the use of redox-active imines and an iridium photocatalyst to generate a wide array of tertiary benzylic, heteroarylbenzylic and α-ester anions, which can be trapped with different electrophiles.

  报道了一种产生碳负离子的脱氨基自由基-极性交叉策略。这种所谓的“aza-Reformatsky”反应利用氧化还原活性亚胺和铱光催化剂产生多种叔苄基、杂芳基苄基和α-酯阴离子，这些阴离子可以被不同的亲电子试剂捕获。
• QUINOLINE, TETRAHYDROQUINOLINE AND PYRIMIDINE DERIVATIVES AS MCH ANTAGONIST
  申请人：Taisho Pharmaceutical Co. Ltd.

  公开号：EP1464335A2

  公开（公告）日：2004-10-06

  The present invention relates to compounds of the Formula (I) wherein Q is: which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及式（I）化合物 其中 Q 为 作为 MCH 受体拮抗剂的化合物。这些组合物可用于药物组合物中，其用途包括预防或治疗改善记忆功能、睡眠和唤醒、焦虑、抑郁、情绪障碍、癫痫发作、肥胖、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗塞、暴饮暴食症（包括贪食症）、厌食症、心肌梗塞、暴食症（包括贪食症）、厌食症、精神障碍（包括躁狂抑郁症）、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、药物滥用障碍和运动障碍（包括帕金森病）、癫痫和成瘾。