5,5-dimethyl-1,3,2-dioxathiane-2,2-dioxide | 1755-97-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 5,5-dimethyl-1,3,2-dioxathiane-2,2-dioxide
• 英文别名: 5,5-dimethyltrimethylene sulphate；5,5-dimethyl-[1,3,2]dioxathiane 2,2-dioxide；5,5-dimethyl-trimethylene sulfate；5,5-dimethyl-1,3,2-dioxathiane 2,2-dioxide；4,4-Dimethyl-1,3-dioxa-2-thian-2-dioxid；5,5-Dimethyl-2,2-dioxo-1,3,2-dioxathian；1,3,2-Dioxathiane, 5,5-dimethyl-, 2,2-dioxide
• CAS: 1755-97-1
• 化学式: C₅H₁₀O₄S
• 分子量: 166.198
• InChiKey: TVAKWODGKZEADD-UHFFFAOYSA-N

物化性质

• 熔点：
  78.5-80.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  233.5±7.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 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：
  61
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P201,P202,P261,P272,P273,P280,P302+P352,P305+P351+P338+P310,P308+P313,P333+P313,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H317,H318,H341,H351,H402

反应信息

• 作为反应物：
  描述：

  5,5-dimethyl-1,3,2-dioxathiane-2,2-dioxide 在 盐酸 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 Γ-二甲基丁内酯
  参考文献：
  名称：

  Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates

  摘要：

  A set of low molecular weight compounds containing a hydroxyethylamine (HEA) core structure with different prime side alkyl substituted 4,5,6,7-tetrahydrobenzazoles and one 4,5,6,7-tetrahydropyridinoazole was synthesized. Striking differences were observed on potencies in the BACE-1 enzymatic and cellular assays depending on the nature of the heteroatoms in the bicyclic ring, from the low active compound 4 to inhibitor 6, displaying BACE-1 IC50 values of 44 nM (enzyme assay) and 65 nM (cell-based assay). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.097
• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 吡啶 、 氯化亚砜 、 calcium permanganate 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 反应 4.0h， 生成 5,5-dimethyl-1,3,2-dioxathiane-2,2-dioxide
  参考文献：
  名称：

  Lloyd,E.J.; Porter,Q.N., Australian Journal of Chemistry, 1977, vol. 30, p. 569 - 578

  摘要：

  DOI：

文献信息

• Cyclic organophosphorus compounds—II
  作者：R.S. Edmundson

  DOI：10.1016/s0040-4020(01)98496-0

  日期：1964.1

  The IR spectra of 47 1,3,2-dioxaphosphorinanes, mostly new compounds, have been recorded and discussed. Assignments have been made to PO, POC (alkyl and aryl), PS and PN stretching motions. In addition,it is suggested tentatively that multiple bands found at around 1000 to 1050 cm−1 and at around 1150 to 1200 cm−1 may be due to ring PO(C) vibrations.

  记录和讨论了47种1,3,2-二氧杂磷酰萘啉（主要是新化合物）的红外光谱。分配给P，O，POC（烷基和芳基），PS和PN拉伸运动。另外，初步建议在大约1000至1050 cm -1和大约1150至1200 cm -1处发现多个频带可能是由于环PO（C）振动所致。
• [EN] REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS<br/>[FR] AGONISTES REV-ERB POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES À MÉDIATION PAR TH17
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2021263278A1

  公开（公告）日：2021-12-30

  The present disclosure provides compounds of Formula IA and Formula IB and their pharmaceutical compositions as selective agonists of REV-ERB-α: where R1, R2, R3, R4, R5, RX1, RX2, nA, nB, X, Y, and Z are described herein. The compounds are useful in various methods and uses, such as in the treatment of diseases including hyperglycemia, dyslipidemia, atherosclerosis, and autoimmune and inflammatory disorders or diseases, and as cancer therapeutics, such as for the treatment of glioblastoma, hepatocellular carcinoma, and colorectal cancer, and for immune-oncology purposes.

  本公开提供了Formula IA和Formula IB的化合物及其作为REV-ERB-α选择性激动剂的药物组合物：其中R1、R2、R3、R4、R5、RX1、RX2、nA、nB、X、Y和Z如本文所述。这些化合物在各种方法和用途中非常有用，例如用于治疗包括高血糖、血脂异常、动脉粥样硬化、自身免疫和炎症性疾病等疾病，以及作为癌症治疗药物，如用于治疗胶质母细胞瘤、肝细胞癌和结直肠癌，以及用于免疫肿瘤学目的。
• Process for producing intermediate furanones from diol derivative and
  申请人：Hoffmann-La Roche Inc.

  公开号：US04596879A1

  公开（公告）日：1986-06-24

  A novel process for the manufacture of the furanone of the formula ##STR1## is described. In this process, a diol is firstly reacted with thionyl chloride, then the sulphite formed, optionally after oxidation to the corresponding sulphate, is treated with sodium cyanide and the resulting hydroxynitrile is hydrolyzed. The furanone of formula I can be used as a starting material for the manufacture of R-(-)-pantolactone.

  描述了一种制造式为##STR1##的呋喃酮的新工艺。在这个工艺中，首先将二醇与氯化亚砜反应，然后形成的亚硫酸酯，经氧化成相应的硫酸酯后，与氰化钠反应，生成的羟基腈经水解。式I的呋喃酮可用作制造R-(-)-泛酸内酯的起始原料。
• Process for the production of cyclopropanenitrile derivatives
  申请人：Lonza Ltd.

  公开号：US05159100A1

  公开（公告）日：1992-10-27

  A process for the production of cyclopropanenitrile derivatives. A diol of the formula: ##STR1## wherein R.sub.1 and R.sub.2 are the same or different and each is a hydrogen atom, a C.sub.1 -C.sub.6 alkyl group, branched or unbranched, or a C.sub.1 -C.sub.6 alkenyl group, branched or unbranched, or wherein R.sub.1 and R.sub.2 together is a C.sub.4 -C.sub.6 cycloalkyl ring, is converted with thionyl chloride to a compound of the formula: ##STR2## The latter compound is then oxidized to a compound of the formula: ##STR3## The formula IV compound is converted with a cyano compound to the end product of the formula: ##STR4##

  一种生产环丙烷腈衍生物的方法。公式为：##STR1## 其中R.sub.1和R.sub.2相同或不同，每个都是氢原子，C.sub.1-C.sub.6烷基，支链或直链，或C.sub.1-C.sub.6烯基，支链或直链，或其中R.sub.1和R.sub.2共同是C.sub.4-C.sub.6环烷基。该二元醇与氯化硫酰转化为公式为：##STR2## 后者化合物然后被氧化为公式为：##STR3## 公式IV化合物与氰化合物转化为最终产物，公式为：##STR4##
• Electrolyte for Lithium Secondary Battery and Lithium Secondary Battery Containing the Same
  申请人：SK Innovation Co., Ltd.

  公开号：US20160072150A1

  公开（公告）日：2016-03-10

  Provided are an electrolyte for a lithium secondary battery, and a lithium secondary battery containing the same. An embodiment of the present invention is directed to providing an electrolyte for a lithium secondary battery having excellent high-temperature and low-temperature characteristics while properly maintaining basic performance such as high rate charge and discharge characteristics, life cycle characteristics, and the like, and a lithium secondary battery containing the same.

  提供了一种用于锂离子二次电池的电解质以及包含该电解质的锂离子二次电池。本发明实施例旨在提供一种锂离子二次电池的电解质，具有优异的高温和低温特性，同时保持高速充放电特性、寿命周期特性等基本性能，以及包含该电解质的锂离子二次电池。