3-(2-甲氧基乙基)苯酚 | 32846-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-(2-甲氧基乙基)苯酚
• 英文名称: 3-(2-methoxyethyl)phenol
• CAS: 32846-01-8
• 化学式: C₉H₁₂O₂
• mdl: MFCD24729288
• 分子量: 152.193
• InChiKey: UKYIABNYSBNFHT-UHFFFAOYSA-N

物化性质

• 沸点：
  241.6±15.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  3-(2-甲氧基乙基)苯酚 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以76%的产率得到2-(3-hydroxyphenyl)acetaldehyde
  参考文献：
  名称：

  Enantiomeric Propanolamines as selective N-Methyl-d-aspartate 2B Receptor Antagonists

  摘要：

  Enantiomeric propanolamines have been identified as a new class of NR2B-selective NMDA receptor antagonists. The most effective agents are biaryl structures, synthesized in six steps with overall yields ranging from 11-64%. The compounds are potent and selective inhibitors of NR2B-containing recombinant NMDA receptors with IC50 values between 30-100 nM. Potency is strongly controlled by substitution on both rings and the centrally located amine nitrogen. SAR analysis suggests that well-balanced polarity and chain-length factors provide the greatest inhibitory potency. Structural comparisons based on 3D shape analysis and electrostatic complementarity support this conclusion. The antagonists are neuroprotective in both in vitro and in vivo models of ischemic cell death. In addition, some compounds exhibit anticonvulsant properties. Unlike earlier generation NMDA receptor antagonists and some NR2B-selective antagonists, the present series of propanolamines does not cause increased locomotion in rodents. Thus, the NR2B-selective antagonists exhibit a range of therapeutically interesting properties.

  DOI：

  10.1021/jm8002153
• 作为产物：
  描述：

  甲氧基甲基三苯基氯化膦 、 间羟基苯甲醛 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以90%的产率得到3-(2-甲氧基乙基)苯酚
  参考文献：
  名称：

  Enantiomeric Propanolamines as selective N-Methyl-d-aspartate 2B Receptor Antagonists

  摘要：

  Enantiomeric propanolamines have been identified as a new class of NR2B-selective NMDA receptor antagonists. The most effective agents are biaryl structures, synthesized in six steps with overall yields ranging from 11-64%. The compounds are potent and selective inhibitors of NR2B-containing recombinant NMDA receptors with IC50 values between 30-100 nM. Potency is strongly controlled by substitution on both rings and the centrally located amine nitrogen. SAR analysis suggests that well-balanced polarity and chain-length factors provide the greatest inhibitory potency. Structural comparisons based on 3D shape analysis and electrostatic complementarity support this conclusion. The antagonists are neuroprotective in both in vitro and in vivo models of ischemic cell death. In addition, some compounds exhibit anticonvulsant properties. Unlike earlier generation NMDA receptor antagonists and some NR2B-selective antagonists, the present series of propanolamines does not cause increased locomotion in rodents. Thus, the NR2B-selective antagonists exhibit a range of therapeutically interesting properties.

  DOI：

  10.1021/jm8002153

文献信息

• Design and synthesis of a monocyclic derivative as a selective ACC1 inhibitor by chemical modification of biphenyl ACC1/2 dual inhibitors
  作者：Ryo Mizojiri、Daisuke Tomita、Masako Sasaki、Yoshihiko Satoh、Yukiko Yamamoto、Hiroyuki Sumi、Hironobu Maezaki

  DOI：10.1016/j.bmc.2021.116056

  日期：2021.4
• JPH02256637A
  申请人：——

  公开号：JPH02256637A

  公开（公告）日：1990-10-17
• US9649373B2
  申请人：——

  公开号：US9649373B2

  公开（公告）日：2017-05-16
• [EN] COMPOUND, POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, PATTERN FORMING METHOD, METHOD FOR FORMING INSULATING FILM, METHOD FOR PRODUCING COMPOUND, IODINE-CONTAINING VINYL POLYMER AND METHOD FOR PRODUCING ACETYLATED DERIVATIVE OF SAME<br/>[FR] COMPOSÉ, POLYMÈRE, COMPOSITION, COMPOSITION DE FORMATION DE FILM, PROCÉDÉ DE FORMATION DE MOTIF, PROCÉDÉ DE FORMATION DE FILM ISOLANT, PROCÉDÉ DE PRODUCTION DE COMPOSÉ, POLYMÈRE VINYLIQUE CONTENANT DE L'IODE ET PROCÉDÉ DE PRODUCTION D'UN DÉRIVÉ ACÉTYLÉ DE CELUI-CI<br/>[JA] 化合物、重合体、組成物、膜形成用組成物、パターン形成方法、絶縁膜の形成方法及び化合物の製造方法、並びにヨウ素含有ビニルポリマーおよびそのアセチル化誘導体の製造方法
  申请人：MITSUBISHI GAS CHEMICAL CO

  公开号：WO2021029395A1

  公开（公告）日：2021-02-18

  一つ以上のハロゲンと、不飽和二重結合と、を有する化合物。または、ａ）式（１－１）で表される一般構造： （式（１－１）中の可変部の定義は明細書に記載のとおりである。） を有するヨウ素含有アルコール性基質を準備する工程と； ｂ）前記ヨウ素含有アルコール性基質を脱水して、式（１）で表される一般構造： （式（１）中の可変部の定義は明細書に記載のとおりである。） を有するヨウ素含有ビニルモノマーを得る工程と； を含んでなる、前記ヨウ素含有ビニルモノマーの製造方法。