(5-methyltetrahydrofuran-3-yl)methanol | 22600-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: (5-methyltetrahydrofuran-3-yl)methanol
• 英文别名: (5-Methyloxolan-3-yl)methanol
• CAS: 22600-86-8
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: NQIAQBVYGDADLH-UHFFFAOYSA-N

物化性质

• 沸点：
  75-78 °C(Press: 5 Torr)
• 密度：
  0.981±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5-methyltetrahydrofuran-3-yl)methanol 在 氢化铝 作用下， 反应 0.5h， 生成 2,4-Dimethyltetrahydrofuran
  参考文献：
  名称：

  Infarnet, Yves; Accary, Armand; Huet, Jean, Bulletin de la Societe Chimique de France, 1980, vol. 2, # 5-6, p. 261 - 266

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-bromo-2-propen-1-yl)-1,3-propanediol 在 偶氮二异丁腈 三正丁基氢锡 作用下， 以 苯 为溶剂， 以21%的产率得到(5-methyltetrahydrofuran-3-yl)methanol
  参考文献：
  名称：

  通过烷氧基自由基环化的新型合成四氢呋喃。

  摘要：

  四氢呋喃是通过烷氧基的5-exo-trig环化反应合成的，该烷氧基是由前所未有的1，5-氢从羟基转变为乙烯基所产生的。

  DOI：

  10.1039/b211568a

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2015180612A1

  公开（公告）日：2015-12-03

  Disclosed are novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORγ.

  揭示了新型视黄醇相关孤儿受体γ（RORγ）调节剂及其在通过RORγ介导的疾病治疗中的应用。
• [EN] SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS<br/>[FR] DÉRIVÉS SUBSTITUÉS DE THIADIAZOLYLE COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2022118210A1

  公开（公告）日：2022-06-09

  Disclosed herein are certain thiadiazolyl derivatives of Formula (I), (II), (III), or (IV): (I), (II), (III), (IV) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  本文披露了某些Formula (I), (II), (III), 或 (IV)的噻二唑衍生物：(I), (II), (III), (IV)，它们抑制DNA聚合酶Theta (Polθ)的活性，特别是通过抑制Polθ的ATP依赖的解旋酶结构域活性来抑制Polθ的活性。此外，还披露了包含这些化合物的药物组合物以及治疗和/或预防通过抑制Polθ可治疗的疾病的方法，例如癌症，包括同源重组 (HR) 缺陷癌症。
• Furanyl insecticide
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0649845A1

  公开（公告）日：1995-04-26

  The present invention relates to novel (tetrahydro-3-furanyl)methylamino derivatives of the following formula (1): where X₁, X₂, X₃, X₄, X₅, X₆ and X₇ represent each a hydrogen atom or an alkyl group having from 1 to 4 carbon atoms, R₁ represents a hydrogen atom, an alkyl group having from 1 to 5 carbon atoms, an alkenyl group having 3 carbon atoms, a benzyl group, an alkoxyalkyl group having from 2 to 4 carbon atoms (in its whole group), an alkyloxycarbonyl group having from 1 to 3 carbon atoms in its alkyloxy portion, a phenoxy carbonyl group, an alkylcarbonyl group having from 1 to 6 carbon atoms in its alkyl portion, an alkenylcarbonyl group having from 2 to 3 carbon atoms in its alkenyl portion, a cycloalkylcarbonyl group having from 3 to 6 carbon atoms in its cycloalkyl portion, a benzoyl group, a benzoyl group substituted by 1 to 3 alkyl group(s) having from 1 to 4 carbon atoms, a benzoyl group substituted by 1 to 3 halogen atom(s), a 2-furanylcarbonyl group or an N,N-dimethylcarbamoyl group; R₂ represents a hydrogen atom, an amino group, a methyl group, an alkylamino group having from 1 to 5 carbon atoms, a di-substituted alkylamino group having from 2 to 5 carbon atoms (in its whole group), a 1-pyrrolidinyl group, an alkenylamino group having 3 carbon atoms, an alkynylamino group having 3 carbon atoms, a methoxyamino group, an alkoxyalkylamino group having from 2 to 4 carbon atoms (in its whole group), a methylthio group, or -N(Y₁)Y₂ (where Y₁ represents an alkyloxycarbonyl group having from 1 to 3 carbon atoms in its alkyloxy portion, a phenoxycarbonyl group, an alkylcarbonyl group having from 1 to 6 carbon atoms in its alkyl portion, an alkenylcarbonyl group having from 2 to 3 carbon atoms in its alkenyl portion, a cycloalkylcarbonyl group having from 3 to 6 carbon atoms in its cycloalkyl group, a benzoyl group, a benzoyl group substituted by 1 to 3 alkyl group(s) having form 1 to 4 carbon atoms, a benzoyl group substituted by 1 to 3 halogen atom(s), a 2-furanylcarbonyl group, a an N,N-dimethylcarbamoyl group, a (tetrahydro-3-furanyl)methyl group or a benzyl group, and Y₂ represents a hydrogen atom or an alkyl group having from 1 to 5 carbon atoms); and Z represents =N-NO₂, =CH-NO₂ or =N-CN, and insecticides containing the derivatives as an effective ingredient.

  本发明涉及下式（1）的新型（四氢-3-呋喃基）甲氨基衍生物： 其中 X₁、X₂、X₃、X₄、X₅、X₆ 和 X₇ 分别代表氢原子或具有 1 至 4 个碳原子的烷基，R₁ 代表氢原子、具有 1 至 5 个碳原子的烷基具有 3 个碳原子的烯基、苄基、具有 2 至 4 个碳原子（全基）的烷氧基烷基、其烷氧基部分具有 1 至 3 个碳原子的烷氧羰基、苯氧基羰基、烷基部分含有 1 至 6 个碳原子的烷基羰基、烯基部分含有 2 至 3 个碳原子的烯基羰基、环烷基部分含有 3 至 6 个碳原子的环烷基羰基、苯甲酰基、被 1 至 3 个含有 1 至 4 个碳原子的烷基取代的苯甲酰基、被 1 至 3 个卤素原子取代的苯甲酰基、2-呋喃基羰基或 N,N-二甲基氨基甲酰基；R₂ 代表氢原子、氨基、甲基、具有 1 至 5 个碳原子的烷基氨基、具有 2 至 5 个碳原子（全基）的二取代烷基氨基、1-吡咯烷基、具有 3 个碳原子的烯基氨基、具有 3 个碳原子的烷基氨基、甲氧基氨基、具有 2 至 4 个碳原子（全基）的烷氧基烷基氨基、甲硫基或 -N(Y₁)Y₂（其中 Y₁ 代表烷氧基部分具有 1 至 3 个碳原子的烷氧基羰基、苯氧基羰基、在其烷基部分中具有 1 至 6 个碳原子的烷基羰基、在其烯基部分中具有 2 至 3 个碳原子的烯基羰基、在其环烷基中具有 3 至 6 个碳原子的环烷基羰基、苯甲酰基、被 1 至 3 个具有 1 至 4 个碳原子的烷基取代的苯甲酰基、被 1 至 3 个卤素原子取代的苯甲酰基、2-呋喃基羰基、N,N-二甲基氨基甲酰基、（四氢-3-呋喃基）甲基或苄基，且 Y₂ 代表氢原子或具有 1 至 5 个碳原子的烷基；和 Z 代表 =N-NO₂、=CH-NO₂ 或 =N-CN，以及含有这些衍生物作为有效成分的杀虫剂。
• PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3148975B1

  公开（公告）日：2018-11-28
• NOVEL COMPOUNDS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3148975A1

  公开（公告）日：2017-04-05