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1-(2-羟基乙基)-2,5-二甲基吡咯 | 83662-06-0

中文名称
1-(2-羟基乙基)-2,5-二甲基吡咯
中文别名
——
英文名称
1-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrrole
英文别名
1-(2-hydroxyethyl)-2,5-dimethylpyrrole;2-(2,5-dimethyl-pyrrol-1-yl)ethanol;2-(2,5-dimethylpyrrol-1-yl)ethanol;2-(2.5-dimethylpyrrole-1-yl)ethanol;2-(2,5-dimethyl-pyrrol-1-yl)-ethanol;2-(2,5-Dimethyl-pyrrol-1-yl)-aethanol
1-(2-羟基乙基)-2,5-二甲基吡咯化学式
CAS
83662-06-0
化学式
C8H13NO
mdl
MFCD09034945
分子量
139.197
InChiKey
AREYOJNLKFSXPK-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

计算性质

  • 辛醇/水分配系数(LogP):
    0.7
  • 重原子数:
    10
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    25.2
  • 氢给体数:
    1
  • 氢受体数:
    1

安全信息

  • 海关编码:
    2933990090

SDS

SDS:8fa41467e341495631393197f0d22cad
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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

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文献信息

  • Novel Innovation Systems for a Cellular Approach to Continuous Process Chemistry from Discovery to Market
    作者:Thomas Schwalbe、Volker Autze、Michael Hohmann、Wolfgang Stirner
    DOI:10.1021/op049970n
    日期:2004.5.1
    Continuous processing of liquid/liquid synthesis and microreaction technology are shown to reduce the cost of process development and manufacturing of active pharmaceutical ingredients and other functional molecules on a commercial scale. Combinatorial synthesis systems for continuous chemistry are introduced, and their applications are described. Reactions within these systems scale seamlessly in
    液/液合成的连续加工和微反应技术已被证明可以降低商业规模的活性药物成分和其他功能分子的工艺开发和制造成本。介绍了用于连续化学的组合合成系统,并描述了它们的应用。这些系统中的反应可在标准化的商业连续合成设备中无缝扩展,从而可以快速获得千克量的高级中间体。通过连续多步过程的案例研究说明了此类系统中的化学和工艺开发。此外,另一个案例研究显示了微反应技术在制造高附加值功能化学品方面的好处。
  • Calcium antagonist N-hetero ester 1,4-dihydropyridines
    申请人:Nelson Research & Development Co.
    公开号:US04652573A1
    公开(公告)日:1987-03-24
    Compounds having calcium channel antagonist activity of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each independently amino, trifluoromethyl, pentafluoroethyl, alkoxy, lower alkenyl, or lower alkynyl or branched or unbranched lower alkyl, which is unsubstituted or is substituted with cyano, hydroxy, acyloxy, hydrazino, lower alkyl amino, or di(lower alkyl)-amino or 5 or 6 membered saturated nitrogen-containing heterocyclic-1-yl, which is unsubstituted or is substituted with oxo, hydroxy, alkyl, and hydroxy (lower alkyl) R.sub.3 is straight- or branched-chain C.sub.1 to C.sub.12 alkyl, alkenyl, alkynyl, or cycloalkyl, and is either unsubstituted or substituted with hydroxy, acyloxy, cyano, di(lower alkyl) amino 5- or 6-membered saturated nitrogen-containing heterocyclic-1-yl or R.sub.3 is --A-R.sub.4, A is a straight- or branched-chain hydrocarbon moiety containing from 2 to 12 carbon atoms and from 0 to 2 double bonds, R.sub.4 is selected from the group consisting of: ##STR2## R.sub.5 is hydrogen, nitro, cyano, azido, amino, trifluoromethyl, alkylamino, dialkylamino, halo, carboxyl, carbalkoxy, alkyl, alkenyl, alkynyl, cycloalkyl, acylamino, carboxamido, sulfonamide, and SO.sub.m -(lower)alkyl where m is 0, 1, or 2 and R.sub.6 is aryl or heteroaryl or a pharmaceutically-acceptable salt thereof are disclosed. Also disclosed is a method of treating hypertension and other disorders by administering an effective amount of a compound of the present invention.
    具有钙通道拮抗活性的化合物的结构式:##STR1##其中R.sub.1和R.sub.2分别独立地是氨基,三氟甲基,五氟乙基,烷氧基,较低烯基,或较低炔基,或者是支链或非支链较低烷基,未取代或取代有氰基,羟基,酰氧基,叠氮基,较低烷基氨基,或二(较低烷基)-氨基,或未取代或取代有氧代基,羟基,烷基和羟基(较低烷基)的5或6元饱和氮杂环基-1-基,R.sub.3是直链或支链C.sub.1至C.sub.12烷基,烯基,炔基或环烷基,未取代或取代有羟基,酰氧基,氰基,二(较低烷基)氨基,5-或6-元饱和氮杂环基-1-基,或R.sub.3是--A-R.sub.4,A是含有2至12个碳原子和0至2个双键的直链或支链碳氢基团,R.sub.4选自以下群体之一:##STR2##R.sub.5是氢,硝基,氰基,偶氮基,氨基,三氟甲基,烷基氨基,二烷基氨基,卤素,羧基,羧酰氧基,烷基,烯基,炔基,环烷基,酰氨基,羧胺基,磺酰胺基,和SO.sub.m -(较低)烷基,其中m为0,1或2,R.sub.6是芳基或杂环芳基,或其药用可接受盐。还公开了通过给予本发明的化合物的有效量来治疗高血压和其他疾病的方法。
  • Greener Paal-Knorr Pyrrole Synthesis by Mechanical Activation
    作者:Liudvikas Akelis、Jolanta Rousseau、Robertas Juskenas、Jelena Dodonova、Cyril Rousseau、Stéphane Menuel、Dominique Prevost、Sigitas Tumkevičius、Eric Monflier、Frédéric Hapiot
    DOI:10.1002/ejoc.201501223
    日期:2016.1
    A straightforward and solventless synthesis of pyrroles was developed by using mechanochemical activation and a biosourced organic acid as the catalyst. Relative to traditional Paal–Knorr methodologies, various N-substituted pyrroles were obtained in very short reaction times. By reaction with unreactive diketones, desymmetrized aliphatic and aromatic compounds were also synthesized.
    通过使用机械化学活化和生物来源的有机酸作为催化剂,开发了一种简单且无溶剂的吡咯合成方法。相对于传统的 Paal-Knorr 方法,可以在很短的反应时间内获得各种 N 取代的吡咯。通过与不活泼的二酮反应,还合成了去对称的脂肪族和芳香族化合物。
  • Photosensitized Oxidations of Substituted Pyrroles: Unanticipated Radical-Derived Oxygenated Products
    作者:Mariza N. Alberti、Georgios C. Vougioukalakis、Michael Orfanopoulos
    DOI:10.1021/jo9012942
    日期:2009.10.2
    22) were isolated and characterized. Photooxidation of 2,5-dimethyl-substituted pyrrole 10 in aprotic solvents unexpectedly afforded aldehyde 23 as the major product. Moreover, photooxidation of pyrrole adduct 10 in protic solvents exclusively gave the unprecedented solvent-trapped products 24−27. The formation of products 11−22 was rationalized by the intermediacy of a common endoperoxide intermediate
    吡咯加成物的光氧化7 - 10已经以建立对所得氧化产物的形成一般的反应模式和机制进行了研究。反应使用I型和II型敏化剂在几种溶剂中进行。在大多数情况下,光氧化会产生复杂的产物混合物。在这些产品中,5,5-或6,5-双环内酰胺(11,15,和19),马来酰亚胺12种不饱和γ β-内酰胺类(16和20),5- hydroxylactams(13,17,和21)和5 -甲氧基内酰胺(14,18和22)进行了分离和表征。在非质子溶剂中2,5-二甲基取代的吡咯10的光氧化意外地得到醛23作为主要产物。此外,吡咯加成物的光氧化10在质子溶剂只得到前所未有的溶剂捕集产品24 - 27。的产物的形成11 - 22通过一个共同的内过氧化物中间体,其可通过I型来形成和II型机制的中间性合理化。化合物23 - 27分别经由电子转移机理最可能形成。
  • Method for preparing amlodipine
    申请人:——
    公开号:US20020132834A1
    公开(公告)日:2002-09-19
    Amlodipine is prepared in a high yield by subjecting a pyrrole derivative, methyl aminocrotonate and 2-chlorobenzaldehyde to a Hantzsch reaction, and converting the pyrrole residue of the resulting 1,4-dihydropyridine derivative to an amine group by the action of hydroxylamine hydrochloride.
    氨氯地平通过将吡咯衍生物、甲基氨基丙烯酸酯和2-氯苯甲醛经过汉茨反应制备高产率,并通过羟胺盐酸盐的作用将产生的1,4-二氢吡啶衍生物的吡咯残基转化为胺基。
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