trans-2,5-dimethyltetrahydrofuran | 81422-48-2

• 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: trans-2,5-dimethyltetrahydrofuran
• 英文别名: (2S,5S)-2,5-dimethyloxolane
• CAS: 81422-48-2
• 化学式: C₆H₁₂O
• 分子量: 100.161
• InChiKey: OXMIDRBAFOEOQT-WDSKDSINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  正丁基锂 、 trans-2,5-dimethyltetrahydrofuran 、 N-甲基苯胺 以 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer

  摘要：

  Crystal structure determination of lithiated N-methylaniline with a variety of ligands, including tetrahydrofuran, methyltetrahydrofuran, trans-2,5-dimethyltetrahydrofuran, dimethoxyethane, tetrahydropyran and N,N-diethylpropionamide, reveals a common Li-N-Li-N four-membered-ring dimeric structure motif. A progression of solvation from tetrasolvated dimer (PhNMeLi center dot S-2)(2) through trisolvated dimer to disolvated dimer (PhNMeLi center dot S)(2) was observed by increasing the steric hindrance of the ligand. Solid-state structures of several other lithium N-alkylanilides solvated by tetrahydrofuan are also reported. When the methyl group of N-methylaniline is replaced by an isopropyl or a phenyl group, trisolvated monomers are formed instead of dimers. Interestingly, the solid-state structure of lithiated N-isobutylaniline in tetrahydrofuran is a trisolvated dimer while that of lithium N-neopentylanilide is a disolvated dimer.

  DOI：

  10.1021/jo402498z
• 作为产物：
  描述：

  (+)-(2R,5R)-trans-2,5-bis<(ethylthio)methyl>tetrahydrofuran 在 镍 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以64%的产率得到trans-2,5-dimethyltetrahydrofuran
  参考文献：
  名称：

  Synthesis of stereoisomeric crown ethers composed of cis- and trans-2,5-bis(hydroxymethyl)tetrahydrofuran units and their selective transport of alkali metal cations through liquid membranes

  摘要：

  DOI：

  10.1021/jo00133a038

文献信息

• HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR
  申请人：AMGEN INC.

  公开号：US20170320860A1

  公开（公告）日：2017-11-09

  Compounds of Formula I and Formula II, pharmaceutically acceptable salts thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures: where the definitions of the variables are provided herein.

  公式I和公式II的化合物，其药用盐，上述任何一个的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。公式I和公式II的化合物具有以下结构： 其中变量的定义在此提供。
• US5064944A
  申请人：——

  公开号：US5064944A

  公开（公告）日：1991-11-12
• US5154738A
  申请人：——

  公开号：US5154738A

  公开（公告）日：1992-10-13
• Structures of Lithium <i>N</i>-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer
  作者：Chicheung Su、Jie Guang、Paul G. Williard

  DOI：10.1021/jo402498z

  日期：2014.2.7

  Crystal structure determination of lithiated N-methylaniline with a variety of ligands, including tetrahydrofuran, methyltetrahydrofuran, trans-2,5-dimethyltetrahydrofuran, dimethoxyethane, tetrahydropyran and N,N-diethylpropionamide, reveals a common Li-N-Li-N four-membered-ring dimeric structure motif. A progression of solvation from tetrasolvated dimer (PhNMeLi center dot S-2)(2) through trisolvated dimer to disolvated dimer (PhNMeLi center dot S)(2) was observed by increasing the steric hindrance of the ligand. Solid-state structures of several other lithium N-alkylanilides solvated by tetrahydrofuan are also reported. When the methyl group of N-methylaniline is replaced by an isopropyl or a phenyl group, trisolvated monomers are formed instead of dimers. Interestingly, the solid-state structure of lithiated N-isobutylaniline in tetrahydrofuran is a trisolvated dimer while that of lithium N-neopentylanilide is a disolvated dimer.
• Synthesis of stereoisomeric crown ethers composed of cis- and trans-2,5-bis(hydroxymethyl)tetrahydrofuran units and their selective transport of alkali metal cations through liquid membranes
  作者：Masao Nakazaki、Koichiro Naemura、Masaru Makimura、Atsushi Matsuda、Takaaki Kawano、Yoshihiro Ohta

  DOI：10.1021/jo00133a038

  日期：1982.6