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2-(2-氟-3,4-二甲氧基苯基)乙腈 | 7537-08-8

中文名称
2-(2-氟-3,4-二甲氧基苯基)乙腈
中文别名
——
英文名称
2-fluoro-3,4-dimethoxyphenylacetonitrile
英文别名
2-fluorohomoveratronitrile;(2-Fluoro-3,4-dimethoxyphenyl)acetonitrile;2-(2-fluoro-3,4-dimethoxyphenyl)acetonitrile
2-(2-氟-3,4-二甲氧基苯基)乙腈化学式
CAS
7537-08-8
化学式
C10H10FNO2
mdl
MFCD03411453
分子量
195.193
InChiKey
IKBOOGBGEFEYIZ-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

  • 熔点:
    48 °C
  • 沸点:
    122-135 °C(Press: 0.35-0.7 Torr)
  • 密度:
    1.162±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.6
  • 重原子数:
    14
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    42.2
  • 氢给体数:
    0
  • 氢受体数:
    4

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

  • 作为反应物:
    描述:
    2-(2-氟-3,4-二甲氧基苯基)乙腈sodium hydroxide氯化亚砜 作用下, 以 二氯甲烷 为溶剂, 反应 17.0h, 生成 N-<2-(4-methoxyphenyl)-2-hydroxyethyl>-2-(3,4-dimethoxy-2-fluorophenyl)acetamide
    参考文献:
    名称:
    Dopamine agonists related to 3-allyl-6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol, 6-position modifications
    摘要:
    The N-allyl derivative (SK&F 85174) of 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol (SK&F 82526) retains the DA-1 agonist potency of the latter compound but unlike the parent also shows substantial DA-2 agonist activity. In a previous study of N-substituted benzazepines these combined agonist effects were shown to be uniquely associated with the N-allyl group. A continuation of this research has examined dependency of combined DA-2/DA-1 agonist activities on 6-position modification with the specific objective of developing an agonist with maximum effectiveness and potency at the DA-2 receptor subtype. DA-2 agonist activity was measured in a rabbit ear artery assay, and DA-1 agonist activity was determined in an adenylate cyclase assay. Replacing chloro with bromo retains the activity pattern and the potency of the chloro compound; replacement with a hydrogen causes a decrease of both DA-1 and DA-2 receptor activating potency. Introduction of a 6-methyl group causes loss of DA-2 agonist activity and reduction in DA-1 agonist potency. Substitution with a 6-fluoro provides the best balance of DA-2 and DA-1 agonist activities; this compound was moderately potent in both assays.
    DOI:
    10.1021/jm00384a006
  • 作为产物:
    描述:
    间氟苯甲醚盐酸potassium carbonate 作用下, 以 溶剂黄146二甲基亚砜丙酮 为溶剂, 反应 10.25h, 生成 2-(2-氟-3,4-二甲氧基苯基)乙腈
    参考文献:
    名称:
    Improved synthesis of fluoroveratroles and fluorophenethylamines via organolithium reagents
    摘要:
    DOI:
    10.1021/jo00314a054
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文献信息

  • [EN] Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R)<br/>[FR] UREE-OCTAHYDROINDOLES SUBSTITUES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR 1 DE L'HORMONE CONCENTRANT LA MELANINE (MCH1R)
    申请人:BIOVITRUM AB
    公开号:WO2005051381A1
    公开(公告)日:2005-06-09
    The invention relates to compounds of the general formula (I) wherein R0, R1, R2, R3, R4, R5, R6, R7, R8, R9, Ar, and X are as defined in the description, or a pharmaceutically acceptable salt, hydrates, geometrical isomers, racemates, tautomers, optical isomers, N-oxides and prodrug forms thereof. The compounds may be used for the treatment or prophylaxis of disorders related to the MCH1R receptor and for modulation of appetite. The invention also relates to such use as well as to pharmaceutical formulations comprising a compound of formula (I).
    该发明涉及通式(I)的化合物,其中R0、R1、R2、R3、R4、R5、R6、R7、R8、R9、Ar和X如描述中所定义,或其药学上可接受的盐、水合物、几何异构体、消旋体、互变异构体、光学异构体、N-氧化物及其前药形式。这些化合物可用于治疗或预防与MCH1R受体相关的疾病,并用于调节食欲。该发明还涉及该用途以及包含通式(I)化合物的药物配方。
  • New compounds
    申请人:Browning Andrew
    公开号:US20050239841A1
    公开(公告)日:2005-10-27
    The invention relates to compounds of the general formula (I) wherein R 0 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , Ar, and X are as defined in the description, or a pharmaceutically acceptable salt, hydrates, geometrical isomers, racemates, tautomers, optical isomers, N-oxides and prodrug forms thereof. The compounds may be used for the treatment or prophylaxis of disorders related to the MCH1R receptor and for modulation of appetite. The invention also relates to such use as well as to pharmaceutical formulations comprising a compound of formula (I).
    本发明涉及一般式(I)的化合物,其中R0,R1,R2,R3,R4,R5,R6,R7,R8,R9,Ar和X如描述中所定义,或其药学上可接受的盐,水合物,几何异构体,外消旋体,互变异构体,光学异构体,N-氧化物和前药形式。该化合物可用于治疗或预防与MCH1R受体相关的疾病,并用于调节食欲。本发明还涉及此类用途,以及包含式(I)化合物的制药配方。
  • Benz-trisubstituted 2-aminotetralins
    申请人:SMITHKLINE BECKMAN CORPORATION
    公开号:EP0209275A1
    公开(公告)日:1987-01-21
    The invention relates to compounds of the formula: wherein R1 and R2 are each hydrogen, n-propyl, n-butyl or 4-hydroxyphenetyl; X is hydrogen or halo; and Y is hydrogen or halo provided that one of X and Y is halo and the other is hydrogen. Also disclosed are methods for the preparation of the compounds, pharmaceutical compositions containing them and their activity as dopaminergic receptor antagonists.
    本发明涉及式的化合物: 其中 R1 和 R2 各为氢、正丙基、正丁基或 4-羟基苯乙基; X为氢或卤代;Y为氢或卤代,条件是X和Y中的一个为卤代,另一个为氢。还公开了制备这些化合物的方法、含有这些化合物的药物组合物及其作为多巴胺能受体拮抗剂的活性。
  • Some Nuclear-Substituted Derivatives of α-Methyldopa<sup>1</sup>
    作者:Anilkumar Parulkar、Alfred Burger、Dorothea Aures
    DOI:10.1021/jm00323a022
    日期:1966.9
  • Improved synthesis of fluoroveratroles and fluorophenethylamines via organolithium reagents
    作者:David L. Ladd、Joseph Weinstock
    DOI:10.1021/jo00314a054
    日期:1981.1
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