(tetrahydro-2H-pyran-2,2-diyl)dimethanol | 85373-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: (tetrahydro-2H-pyran-2,2-diyl)dimethanol
• 英文别名: 2,2-bishydroxymethyltetrahydropyran；2,2-bis-hydroxymethyl-tetrahydro-pyran；2,2-Bis-hydroxymethyl-tetrahydropyran；2,2-Bis-(hydroxymethyl)-tetrahydropyran；[2-(hydroxymethyl)oxan-2-yl]methanol
• CAS: 85373-58-6
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: FZXBUTYKROASFB-UHFFFAOYSA-N

物化性质

• 熔点：
  44 °C
• 沸点：
  116 °C(Press: 0.4 Torr)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (tetrahydro-2H-pyran-2,2-diyl)dimethanol 、 丁酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以33.4%的产率得到(tetrahydro-2H-pyran-2,2-diyl)bis(methylene) dibutyrate
  参考文献：
  名称：

  First stereoselective acylation of a primary diol possessing a prochiral quaternary center mediated by lipase TL from Pseudomonas stutzeri

  摘要：

  The first described acylation of a primary diol possessing a prochiral quaternary center catalyzed by lipase TL from Pseudomonas stutzeri is described. Optimized conditions were designed by testing different experimental conditions on model substrates (cyclopentylmethanol, cyclohexylmethanol, cyclopentane-1,1-diyldimethanol or cyclohexane-1,1-diyldimethanol) to find best organic solvent, optimal acyl donor and temperature, as well as the optimal substrates/enzyme ratio. Lipase TL resulted the best biocatalyst, while vinyl butyrate as acylating agent and a mixture of isooctane/THF 8/2, (v/v) resulted the best experimental conditions. Under these conditions, reaction were monitorized by chiral HPLC (diffraction index detector). The enantiomeric excess in the acylation of target substrate, (tetrahydro-2H-pyran-2,2-diyl)dimethanol, was measured by derivatization of monoesters with Mosher's R-MTPA-CI, which also was useful to determine the S absolute configuration of the major reaction product of the lipase-catalyzed monoacylation. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.09.056
• 作为产物：
  描述：

  3,6-二氢-2H-吡喃-2,2-二羧酸 2,2-二乙酯 在 platinum on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 (tetrahydro-2H-pyran-2,2-diyl)dimethanol
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205

文献信息

• Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives
  申请人：Sugen. Inc.

  公开号：US20030100555A1

  公开（公告）日：2003-05-29

  The present invention relates to pyrrole substituted 2-indolinone compounds and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及吡咯替代的2-吲哚酮化合物及其药学上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Use of alkylguanidines as cationic emulsifiers
  申请人：Fotsch Hannelore

  公开号：US20060134056A1

  公开（公告）日：2006-06-22

  Emulsions comprising cationic emulsifiers and optionally coemulsifiers, optionally customary auxiliaries and additives, wherein the cationic emulsifiers used are at least one compound of the general formula (I) in which R 1 , R 2 , independently of the other, is at least one radical chosen from the group H, and/or an optionally branched, optionally multiple bond-containing hydrocarbon radical, a hydroxyalkyl, alkoxy, carboxyalkyl radical, an aminoalkyl, alkylaminoalkyl, amidoalkyl, alkylamidoalkyl radical, a homo- or heterocyclic, optionally substituted aliphatic or aromatic hydrocarbon radical having 1 to 60 carbon atoms, preferably 1 to 30 carbon atoms, in particular 12 to 18 carbon atoms, with the proviso that the sum of the carbon atoms from R 1 +R 2 is at least 12 and X − is a salt-forming anion or the hydroxyl anion are provided.

  由阳离子乳化剂和可选的共乳化剂、可选的惯用辅助剂和添加剂组成的乳液，其中使用的阳离子乳化剂至少是通式（I）中的一个化合物，其中R1，R2独立于彼此，至少是来自于H、可选的支链、可选的多键含有的烃基、羟基烷基、烷氧基、羧基烷基、氨基烷基、烷基氨基烷基、酰胺基烷基、烷基酰胺基烷基、1至60个碳原子、优选1至30个碳原子、特别是12至18个碳原子的同系或异系、可选取代的脂肪族或芳香族烃基，其中R1+R2的碳原子总和至少为12，X-是形成盐的阴离子或氢氧根离子。
• Polycarbonate resin compositon and molded article
  申请人：Mitsuhashi Kenichi

  公开号：US20050261414A1

  公开（公告）日：2005-11-24

  Provided are a polycarbonate resin composition which does not contain halogen and phosphorus as a flame retardant component and which is excellent in a fluidity while maintaining a flame resistance, a heat resistance and an impact resistance and a molded article thereof. The polycarbonate resin composition comprises (A) 60 to 97 mass % of an aromatic polycarbonate resin composition and 3 to 40 mass % of (B) an acrylonitrile-styrene base resin having a melt flow rate (MFR) of 5 or more at 200° C. and a load of 5 kg, wherein it is blended with 0 to 37 mass parts of (C) an impact resistance-improving agent, 0 to 3 mass parts of (D) an organic alkali metal salt and/or an organic alkali earth metal salt, 0 to 3 mass parts of (E) a functional group-containing silicone compound, 0 to 55 mass parts of (F) an inorganic filler and 0 to 2 mass parts of (G) a polyfluoroolefin resin each per total 100 mass parts of (A) and (B).

  提供一种聚碳酸酯树脂组合物，不含卤素和磷作为阻燃组分，同时保持耐火性、耐热性和抗冲击性，以及其模制品。该聚碳酸酯树脂组合物包括(A) 60-97质量％的芳香族聚碳酸酯组合物和3-40质量％的(B) 丙烯腈-苯乙烯基树脂，其在200℃和5千克的负荷下具有熔融流动速率（MFR）为5或更高。其中，它与(C) 抗冲击性改进剂的0-37质量部分混合，以及每100质量部分(A)和(B)中的0-3质量部分(D) 有机碱金属盐和/或有机碱土金属盐，0-3质量部分(E) 含有功能基团的硅氧烷化合物，0-55质量部分(F) 无机填料和0-2质量部分(G) 聚氟烯烃树脂。
• POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE
  申请人：MITSUHASHI Kenichi

  公开号：US20080076866A1

  公开（公告）日：2008-03-27

  Provided are a polycarbonate resin composition which does not contain halogen and phosphorus as a flame retardant component and which is excellent in a fluidity while maintaining a flame resistance, a heat resistance and an impact resistance and a molded article thereof.

  提供了一种聚碳酸酯树脂组合物，该组合物不含卤素和磷作为阻燃组分，同时具有出色的流动性能，同时保持着耐火性、耐热性和抗冲击性，以及其成型品。
• Silicone based fluids for drilling applications
  申请人：M-I Drilling Fluids L.L.C.

  公开号：EP0764709A1

  公开（公告）日：1997-03-26

  An essentially non-polluting, substantially non-toxic drilling fluid composition has been discovered that is particularly useful as a lubricant or spotting fluid in drilling oil and gas wells. The fluid comprises silicone which may be is mixed with an emulsifier for application in the water base mud system.

  人们发现了一种基本无污染、基本无毒的钻井液组合物，这种组合物在钻探油气井时可用作润滑剂或喷射液。这种钻井液由硅酮组成，可与乳化剂混合，用于水基泥浆系统。