1-(氯甲基)-4-氟萘 | 3094-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(氯甲基)-4-氟萘
• 中文别名: 1-(氯甲基)-4-1-氟萘
• 英文名称: 1-(chloromethyl)-4-fluoronaphthalene
• 英文别名: 1-chloromethyl-4-dluoronaphthalene；1-Chlormethyl-4-fluor-naphthalin
• CAS: 3094-25-5
• 化学式: C₁₁H₈ClF
• mdl: MFCD08582778
• 分子量: 194.636
• InChiKey: MBCICIRHFWCNAX-UHFFFAOYSA-N

物化性质

• 熔点：
  56 °C
• 沸点：
  157-158 °C(Press: 18 Torr)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(氯甲基)-4-氟萘 在 氰化钠 、 丙酮 作用下， 生成 2-(4-氟萘-1-基)乙腈
  参考文献：
  名称：

  Synthesis of Two Fluorinated 1-Naphthylacetic Acids

  摘要：

  DOI：

  10.1021/jo01096a010
• 作为产物：
  描述：

  4-氟-1-萘醛 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 1-(氯甲基)-4-氟萘
  参考文献：
  名称：

  使用格氏试剂的 Pd 催化烯丙基脱芳构化

  摘要：

  通过使用格氏试剂，钯催化的萘基卤化物的烯丙基化脱芳构化被证明是可行的。亲核试剂的高反应活性允许快速反应和低催化剂负载，而大量成功取代的化合物说明了广泛的范围。五元杂芳族化合物也被证明在类似条件下具有反应性。

  DOI：

  10.1039/d1cc05609c

文献信息

• [EN] NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES DE PYRROLE UTILISES COMME AGENTS PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2002094833A1

  公开（公告）日：2002-11-28

  Novel pyrrazole derivative compounds and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors. The disclosed invention relates to compounds of the structure (I) wherein (I) is a four, five, or six membered saturated ring and X is C, O or S.

  小说吡唑衍生物化合物及其作为药物制剂的用途，特别是作为TGF-beta信号传导抑制剂的用途。所披露的发明涉及结构为（I）的化合物，其中（I）是四、五或六元饱和环，X为C，O或S。
• Novel pyrrole derivatives as pharmaceutical agents
  申请人：——

  公开号：US20040106604A1

  公开（公告）日：2004-06-03

  Novel pyrrazole derivative compounds and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors. The disclosed invention relates to compounds of the structure (I) wherein (I) is a four, five, or six membered saturated ring and X is C, O or S. 1

  小说吡唑衍生物化合物及其作为药物代理的使用，特别是其作为TGF-beta信号转导抑制剂的使用。所公开的发明涉及结构（I）的化合物，其中（I）是四、五或六个成员的饱和环，X是C、O或S。1
• Pyrrole derivatives as pharmaceutical agents
  申请人：Eli Lilly and Company

  公开号：US07087626B2

  公开（公告）日：2006-08-08

  Novel pyrrazole derivative compounds and their use as pharmaceutical agents, in particular their use as TGF-beta signal transduction inhibitors. The disclosed invention relates to compounds of the structure (I) wherein (I) is a four, five, or six membered saturated ring and X is C, O or S

  小说吡唑衍生物化合物及其作为药物代理的用途，特别是它们作为TGF-beta信号转导抑制剂的用途。所披露的发明涉及结构为(I)的化合物，其中(I)是四、五或六成员饱和环，X是C、O或S。
• Amine derivatives, processes for preparing the same and fungicides containing the same
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP0164697A2

  公开（公告）日：1985-12-18

  Amine derivatives having the general formula (I): wherein X is selected from the group consisting of wherein Q is oxygen, sulfur or nitrogen atom, and wherein Q is as above; Y is selected from the group consisting of R' is hydrogen atom or an alkyl group; R2 is hydrogen atom or an alkyl group; R3 is hydrogen atom, a halogen atom or an alkyl group; R4 is hydrogen atom, an alkyl group, a cycloalkyl group, a halogenated alkyl group or a halogen atom; R5 is hydrogen atom, an alkyl group, an alkoxy group, a halogen atom, nitro group or hydroxy group; R5 is attached to an arbitrary position of X, and R3 or R4 is attached to an arbitrary position of Y. The amine derivatives (II are useful as fungicides.

  具有通式(I)的胺衍生物：其中X选自由Q为氧、硫或氮原子组成的组，Q如上；Y选自由R'为氢原子或烷基；R2为氢原子或烷基；R3为氢原子、卤素原子或烷基；R4为氢原子、烷基、环烷基、卤代烷基或卤素原子；R5为氢原子、烷基、烷氧基、卤素原子、硝基或羟基；R5连接到X的任意位置，R3或R4连接到Y的任意位置。
• Synthesis and structure-activity relationships of naphthalene-substituted derivatives of the allylamine antimycotic terbinafine
  作者：Peter Nussbaumer、Gerhard Dorfstaetter、Ingrid Leitner、Karin Mraz、Hermann Vyplel、Anton Stuetz

  DOI：10.1021/jm00071a011

  日期：1993.9

  Derivatives of the allylamine antimycotic terbinafine (1) with varied substitution at the naphthalene ring system have been prepared, and their antifungal activity has been evaluated. In general, the potency is strongly dependent on the bulkiness of the substituent. Only hydrogen or in some cases fluorine are tolerated as substituents at positions 2-4 and 6-8 of the naphthalene moiety, whereas 5-substituents may be larger in size (F, Cl, Br, Me). Derivatives with fluorine at positions 3, 5, and 7 or chlorine at position 5 showed enhanced activity against yeasts relative to 1. This increase in sensitivity could be intensified by simultaneous introduction of two fluoro substituents at positions 5 and 7. Compound 7q demonstrated 8-to 16-fold improved potency against Aspergillus fumigatus, Candida albicans, and Candida parapsilosis.