2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl 4-methylbenzenesulfonate | 65338-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl 4-methylbenzenesulfonate
• 英文别名: 2-(tetrahydro-2H-pyran-2-yloxy)ethyl 4-methylbenzenesulfonate；2-(oxan-2-yloxy)ethyl 4-methylbenzenesulfonate
• CAS: 65338-95-6
• 化学式: C₁₄H₂₀O₅S
• 分子量: 300.376
• InChiKey: WHFUIVZZHQPGTF-UHFFFAOYSA-N

物化性质

• 沸点：
  447.3±45.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl 4-methylbenzenesulfonate 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 (-)-(1R,2S,3R,4S)-2-(2-tetrahydropyranyloxy)ethoxy-3-(2-benzyloxy)ethoxy-1,7,7-trimethylbicyclo<2.2.1>heptane
  参考文献：
  名称：

  Sasaki, Shigeki; Kawasaki, Motoji; Koga, Kenji, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 10, p. 4247 - 4266

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 在 对甲苯磺酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis of chiral diaza-18-crown-6 derivatives from optically active diethanolamines

  摘要：

  Homotopic 1,10-diaza-18-crown-6 derivatives with two, four, and six chiral centers have been prepared in optically active form from diethanolamines via a cyclization reaction with tosylates 39 and 48. The requisite optically active diethanolamines were prepared from chiral cyanohydrins and chiral ethanolamines by a one-pot Grignard-transimination-reduction or a one-pot reduction-transimination-reduction procedure. Yields were strongly affected by the size of the substituents alpha to the nitrogen atom. The stereoselectivity of the diethanolamine synthesis was found to depend on the configuration of the ethanolamine used.

  DOI：

  10.1021/jo00068a029

文献信息

• [5,6]HETEROCYCLIC COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2565185A1

  公开（公告）日：2013-03-06

  Abstract: An object of the present invention is to provide a novel low molecular weight compound exhibiting an osteogenesis-promoting action. This object is achieved by a compound having the general formula (I) or a pharmacologically acceptable salt thereof. In the general formula (I), R1 and R2 represent hydrogen atoms, and the like; R3 represents a hydrogen atom, and the like; X, Y, and Z represent nitrogen atoms, and the like; A represents a phenylene group, and the like; n represents 1 or 2, and the like; and V and W represent oxygen atoms, and the like.

  摘要：本发明的目的是提供一种表现出促进骨生成作用的新型低分子量化合物。该目的通过具有通式（I）或其药理学可接受的盐的化合物实现。在通式（I）中，R1和R2代表氢原子等；R3代表氢原子等；X、Y和Z代表氮原子等；A代表苯基等；n代表1或2等；V和W代表氧原子等。
• Synthesis and extraction properties of some lariat ethers derived from the spontaneously resolved guaifenesin, 3-(2-methoxyphenoxy)propane-1,2-diol
  作者：Zemfira A. Bredikhina、Rimma M. Eliseenkova、Robert R. Fayzullin、Viktorina G. Novikova、Sergey V. Kharlamov、Dilyara R. Sharafutdinova、Shamil K. Latypov、Alexander A. Bredikhin

  DOI：10.3998/ark.5550190.0012.a02

  日期：——

  Capable of spontaneous resolution rac-3-(2-methoxyphenoxy)propane-1,2-diol, guaifenesin 1 has been proposed as a cheap and readily available enantiopure precursor for the synthesis of nonracemic crown ethers having ligating OAr and OMe arms (lariat ethers). The crowns studied failed to form stable host/guest complexes with amine hydrochloride salts; the effective complexation was achieved using hexafluorophosphate

  能够自发拆分外消旋-3-(2-甲氧基苯氧基)丙烷-1,2-二醇，愈创甘油醚 1 已被提议作为一种廉价且容易获得的对映体纯前体，用于合成具有结扎 OAr 和 OMe 臂的非外消旋冠醚（套索醚） ）。研究的牙冠未能与胺盐酸盐形成稳定的宿主/客体复合物；使用六氟磷酸盐实现了有效的络合。套索醚11c 实现了R*NH2·HPF6 的适度对映体识别。总的来说，提取的对映选择性与套索醚的提取能力成反比。
• COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1
  申请人：HAMAMATSU PHOTONICS K.K.

  公开号：US20150225368A1

  公开（公告）日：2015-08-13

  Provided is a compound represented by formula (1-0): wherein in formula (1-0), R represents —O(CH 2 ) n —, —O(CH 2 ) n OC 2 H 4 —, —CH 2 O(CH 2 ) n — or —CH 2 O(CH 2 ) n OC 2 H 4 —; n represents an integer from 1 to 5; and Q 1 represents F or —OCH 3 .

  提供的化合物的化学式为（1-0）：其中在化学式（1-0）中，R代表—O(CH2)n—，—O( )nOC2H4—，— O( )n—或— O( )nOC2H4—；n代表1到5之间的整数；Q1代表F或—OCH3。
• DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER
  申请人：HAMAMATSU PHOTONICS K.K.

  公开号：US20160256578A1

  公开（公告）日：2016-09-08

  The present invention provides a diagnostic agent for a therapeutic effect on cancer, containing a compound represented by formula (1-0). (In formula (1-0), R represents —O(CH 2 ) n —, —O(CH 2 ) n OC 2 H 4 —, —CH 2 O(CH 2 ) n —, or —CH 2 O(CH 2 ) n OC 2 H 4 —, n represents an integer of 1 to 5, and Q 1 represents F or —OCH 3 .)

  本发明提供了一种用于治疗癌症的诊断试剂，包含由式(1-0)表示的化合物。(在式(1-0)中，R代表—O(CH2)n—，—O( )nOC2H4—，— O( )n—或— O( )nOC2H4—，n代表1至5的整数，Q1代表F或—OCH3。)
• Facile Preparation of Optically Active Bicyclo[3.3.1]nonane-2,6-diol and 3,3,7,7-Tetramethylbicyclo[3.3.1]nonane-2,6-diol by Enzyme-Catalyzed Hydrolysis, and Enantiomer Recognition Behavior of Crown Ethers and Podands Having These Diols as a Chiral Subunit
  作者：Koichiro Naemura、Takahisa Matsumura、Masanori Komatsu、Yoshiki Hirose、Hiroaki Chikamatsu

  DOI：10.1246/bcsj.62.3523

  日期：1989.11

  with 86% e.e. By lithium aluminum hydride reduction, (+)-4 and (−)-5 were converted to (+)-bicyclo[3.3.1]nonane-2,6-diol (3) and (−)-3 with high optical purity, respectively, and (+)-7 was obtained from (+)-9. Using these optically active diols 3 and 7 as a chiral subunit, optically active crown ethers and podands were prepared and their enantiomer recognition behavior was evaluated by the enantiomer

  使用来自圆柱假丝酵母的脂肪酶水解 2,6-二乙酰氧基双环 [3.3.1] 壬烷 (5) 得到 (+)-(1S,2R,5S,6R)-6-乙酰氧基双环 [3.3.1]nonan-2-ol ( 4) 具有 81% ee 和 (-)-(1R,2S,5R,6S)-5 具有 95% ee，以及猪肝酯酶催化的 2,6-二乙酰氧基-3,3,7,7-四甲基双环水解[3.3.1]壬烷 (9) 得到 (-)-(1S,2R,5S,6R)-3,3,7,7-四甲基双环 [3.3.1] 壬烷-2,6-二醇 (7)，其中 96 %ee和(+)-(1R,2S,5R,6S)-9与86%ee 通过氢化铝锂还原，(+)-4和(-)-5转化为(+)-双环[3.3。 1]壬烷-2,6-二醇 (3) 和 (-)-3 分别具有高光学纯度，(+)-7 由 (+)-9 获得。使用这些光学活性二醇 3 和 7 作为手性亚基，