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3-(4-溴苯基)哌啶-1-甲酸叔丁酯 | 769944-73-2

中文名称
3-(4-溴苯基)哌啶-1-甲酸叔丁酯
中文别名
3-(4-溴苯基)哌啶-1-羧酸叔丁酯;尼拉帕尼中间体
英文名称
tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate
英文别名
——
3-(4-溴苯基)哌啶-1-甲酸叔丁酯化学式
CAS
769944-73-2
化学式
C16H22BrNO2
mdl
——
分子量
340.26
InChiKey
WRSHWNCUNYWQBB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    398.5±42.0 °C(Predicted)
  • 密度:
    1.283

计算性质

  • 辛醇/水分配系数(LogP):
    4
  • 重原子数:
    20
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.56
  • 拓扑面积:
    29.5
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2933399090
  • 储存条件:
    存储条件:2-8℃,干燥

SDS

SDS:97a9585e6a10484dc4bb910a1638909e
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • [EN] 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES<br/>[FR] DERIVES DE 2,3,6-TRISUBSTITUE 4-PYRIMIDONE
    申请人:MITSUBISHI PHARMA CORP
    公开号:WO2004085408A1
    公开(公告)日:2004-10-07
    A pyrimidone derivative having tau protein kinase 1 inhibitory activity which is represented by formula (I) or a salt thereof, or a solvate thereof or a hydrate thereof; useful for prventive and/or therapeutic treatment of diseass such as neurodegenerative diseases (e.g. Alzheimer disease); wherein Q represents CH or nitrogen atom; R represents a C1-C12 alkyl group; the ring of Formula (I): represents piperazine ring or piperidine ring; each X independently represents a C1-C8 alkyl group, an optionally partially hydrogenated C6-C10 aryl ring, an indan ring or the like; m represents an integer of 1 to 3; each Y independently represents a halogen atom, a hydroxy group, a cyano group, a C1-C6 alkyl group or the like; n represents an integer of 0 to 8; when X and Y or two Y groups are attached on the same carbon atom, they may combine to each other to form a C2-C6 alkylene group.
    一种具有tau蛋白激酶1抑制活性的嘧啶酮衍生物,其由化学式(I)或其盐、溶剂合物或水合物表示;用于预防和/或治疗神经退行性疾病(例如阿尔茨海默病);其中Q代表CH或氮原子;R代表C1-C12烷基基团;化学式(I)的环:代表哌嗪环或哌啶环;每个X独立地代表C1-C8烷基基团、可选择性部分氢化的C6-C10芳环、茚环或类似物;m代表1到3的整数;每个Y独立地代表卤素原子、羟基、氰基、C1-C6烷基基团或类似物;n代表0到8的整数;当X和Y或两个Y基团连接在同一碳原子上时,它们可以结合形成C2-C6烷基基团。
  • [EN] TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME<br/>[FR] COMPOSÉS TRICYCLIQUES ET INHIBITEURS DE PBK LES CONTENANT
    申请人:ONCOTHERAPY SCIENCE INC
    公开号:WO2011123419A1
    公开(公告)日:2011-10-06
    Trycyclic compounds are provided. These compounds are PBK inhibitors, and are useful for the treatment of PBK related diseases, including cancer.
    提供的是三环化合物。这些化合物是PBK抑制剂,可用于治疗与PBK相关的疾病,包括癌症。
  • HETEROCYCLIC AMINE DERIVATIVES
    申请人:Galley Guido
    公开号:US20120245172A1
    公开(公告)日:2012-09-27
    The present invention relates to compounds of formula I wherein A, B, X, Y, Ar, R 1 , R 2 , R′, m and n are as defined herein and to pharmaceutical active acid addition salts thereof. Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds can be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.
    本发明涉及式I的化合物,其中A、B、X、Y、Ar、R1、R2、R′、m和n的定义如本文所述,并且涉及其药用活性酸盐。式I的化合物对痕量胺相关受体(TAARs)具有良好的亲和力,特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑障碍、双相情感障碍、注意力缺陷多动障碍(ADHD)、与压力相关的障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用、以及代谢障碍如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍、以及心血管疾病。
  • [EN] HETEROCYCLIC AMINE DERIVATIVES<br/>[FR] DÉRIVÉS D'AMINES HÉTÉROCYCLIQUES
    申请人:HOFFMANN LA ROCHE
    公开号:WO2012126922A1
    公开(公告)日:2012-09-27
    The present invention relates to compounds of formula (I) wherein R1 is hydrogen, lower alkyl, halogen, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, cyano, nitro, C3-6-cycloalkyl, -CH2-C3-6-cycloalkyl, -O-CH2-C3-6-cycloalkyl, -O-(CH2)2-O-lower alkyl, S(O)2CH3, SF5, -C(O)NH-lower alkyl, phenyl, -O-pyrimidinyl, optionally substituted by lower alkoxy substituted by halogen, or is benzyl, oxetanyl or furanyl; m Ar is aryl or heteroaryl, selected from the group consisting of phenyl, naphthyl, pyrimidinyl, pyridinyl, benzothiazolyl, quinolinyl, quinazolinyl, benzo[d][1.3]dioxolyl, 5,6,7,8- tetrahydro-quinazolinyl, pyrazolyl, pyrazinyl, pyridazinyl, or 1,3,4-oxadiazolyl; Y is a bond, -CH2-, -CH2CH2-, -CH(CF3)- or -CH(CH3)-; R2 is hydrogen or lower alkyl; A is CR or N; and R is hydrogen, cyano, halogen or lower alkyl; R' is hydrogen or halogen; with the proviso that when R' is halogen, then A is CH; B is CH or N; n is 0, 1 or 2; X is a bond, -CH2- or -O-; pharmaceutical active acid addition salts thereof. It has now been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.
    本发明涉及以下式(I)的化合物,其中R1是氢、低碳基、卤素、被卤素取代的低碳基、低烷氧基、被卤素取代的低烷氧基、氰基、硝基、C3-6环烷基、-CH2-C3-6环烷基、-O-CH2-C3-6环烷基、-O-(CH2)2-O-低碳基、S(O)2CH3、SF5、-C(O)NH-低碳基、苯基、-O-嘧啶基,或是被低烷氧基取代的被卤素取代的苯基、或者是苄基、氧杂环戊二烯基或呋喃基;m Ar是芳基或杂芳基,选自苯基、萘基、嘧啶基、吡啶基、苯并噻唑基、喹啉基、喹唑啉基、苯并[d][1.3]二噁基、5,6,7,8-四氢喹唑啉基、吡唑基、吡嗪基、吡啶啉基或1,3,4-噁二唑基;Y是键、-CH2-、-CH2CH2-、-CH(CF3)-或-CH(CH3)-;R2是氢或低碳基;A是CR或N;R是氢、氰基、卤素或低碳基;R'是氢或卤素;但是如果R'是卤素,则A是CH;B是CH或N;n是0、1或2;X是键、-CH2-或-O-;以及它们的药用活性酸盐。现已发现,式I的化合物对痕量胺相关受体(TAARs)具有良好的亲和力,特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑障碍、躁郁症、注意力缺陷多动障碍(ADHD)、与压力有关的障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用以及代谢障碍,如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍,以及心血管疾病。
  • 一种尼拉帕尼中间体的制备方法
    申请人:天津太平洋化学制药有限公司
    公开号:CN113461597B
    公开(公告)日:2023-07-21
    本发明提供了一种尼拉帕尼中间体的制备方法,包括如下步骤:反应溶剂中,如下所示的化合物1和化合物2在光催化剂和Ni催化剂协同催化下反应得到化合物3,化合物3即为尼拉帕尼中间体;其中,化合物1为N保护的3‑羧酸哌啶衍生物;化合物3为3‑(4‑溴苯基)哌啶类似物。本发明所述的尼拉帕尼中间体的制备方法制备效率高、合成成本低,且对人体和环境损害小。
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