4,4-二甲基-1,3,2-二氧硫杂环己烷2-氧化物 | 1003-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧硫杂环戊烷
• 中文名称: 4,4-二甲基-1,3,2-二氧硫杂环己烷2-氧化物
• 英文名称: 5.5-dimethyl-1,3,2-dioxathiane-2-oxide
• 英文别名: 5,5-Dimethyl-trimethylensulfit；5,5-Dimethyl-2-oxo-1,3,2-dioxathian；5,5-Dimethyl-1,3,2-dioxathiane 2-oxide
• CAS: 1003-85-6
• 化学式: C₅H₁₀O₃S
• 分子量: 150.199
• InChiKey: MBWNQWVADQDHDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 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：
  54.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P280,P362+P364,P333+P313,P305+P351+P338+P310
• 危险品运输编号：
  1760
• 危险性描述：
  H315,H318,H317
• 储存条件：
  存储条件：2-8°C，干燥且密封。

反应信息

• 作为反应物：
  描述：

  4,4-二甲基-1,3,2-二氧硫杂环己烷2-氧化物 在 吡啶 、 氯化亚砜 、 碳酸氢钠 、 一水合肼 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 ethylene diglycol 、 二甲基亚砜 为溶剂， 反应 84.33h， 生成 利克飞龙
  参考文献：
  名称：

  Investigations on cytotoxicity and anti-inflammatory potency of licofelone derivatives

  摘要：

  A series of C5-substituted licofelone ([2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid) derivatives were developed by a parallel synthesis approach and investigated for cytotoxicity against MCF-7 and MDA-MB-231 cells as well as for anti-inflammatory potency in vitro and in vivo. Dependent on the C5-substituent, the compounds showed high selectivity for MCF-7 cells. Especially 2-oxoethyl benzoate derivatives were inactive at the MDA-MB-231 cell line and as active as 5-FU at MCF-7 cells. C5-acetyl (8a), -2-oxoethyl formiate (8e), -2-oxoethyl acetate (81) and -2-oxoethyl propionate (8g) derivatives showed growth inhibition at both cell lines, comparable with cisplatin. Modifications significantly reduced the inhibitory potency at COX-1 and COX-2 in vitro and in the xylene-induced ear swelling assay in mice. Only compound 8a was equipotent to licofelone, ibuprofen and celecoxibe in vivo. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.002
• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 亚硫酸二异丙酯 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到4,4-二甲基-1,3,2-二氧硫杂环己烷2-氧化物
  参考文献：
  名称：

  二醇和亚硫酸二异丙酯的酯交换制备环状亚硫酸盐

  摘要：

  摘要 1,2-、1,3-和1,4-二醇的环状亚硫酸盐可以通过酸或碱催化与亚硫酸二异丙酯的酯交换反应以高收率制备。

  DOI：

  10.1080/00397919708003344

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。
• Method for Chlorinating Alcohols
  申请人：Rohde Thorsten

  公开号：US20080228016A1

  公开（公告）日：2008-09-18

  A process for preparing organic chlorides in which the chlorine atom is bonded to a CH 2 group by reacting the corresponding alcohols with thionyl chloride in the presence of a triaylphosphine oxide at a temperature of from 20 to 200° C. and a pressure of from 0.01 to 10 MPa abs, which comprises using the triarylphosphine oxide in a molar ratio to the amount of OH groups to be chlorinated of from 0.0001 to 0.5.

  一种制备有机氯化物的方法，其中氯原子与一个CH2基团结合，通过在20至200°C温度和0.01至10兆帕绝对压力下，在三芳基膦氧化物存在下，将相应的醇与亚砜氯反应。该方法包括使用三芳基膦氧化物，其与待氯化的OH基团的摩尔比为0.0001至0.5。
• NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS
  申请人：ECKHARDT Matthias

  公开号：US20130252937A1

  公开（公告）日：2013-09-26

  The present invention relates to compounds of general formula I, wherein the groups R 1 , R 2 and m are defined as in claim 1 , which have valuable pharmacological properties, in particular bind to the GPR40 receptor and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular diabetes type 2.

  本发明涉及一般式I的化合物， 其中基团R 1 ，R 2 和m如权利要求中所定义， 具有有价值的药理特性，特别是结合GPR40受体并调节其活性。这些化合物适用于治疗和预防受该受体影响的疾病，如代谢性疾病，特别是2型糖尿病。
• [EN] NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS<br/>[FR] NOUVEAUX DÉRIVÉS D'ACIDE INDANYLOXYDIHYDROBENZOFURANNYLACÉTIQUE ET LEUR UTILISATION COMME AGONISTES DU RÉCEPTEUR GPR40
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013144098A1

  公开（公告）日：2013-10-03

  The present invention relates to compounds of general formula (I), wherein the groups R1, R2 and m are defined as in claim 1, which have valuable pharmacological properties, in particular bind to the GPR40 receptor and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular diabetes type 2.

  本发明涉及一般式(I)的化合物，其中基团R1、R2和m的定义如权利要求书中所述，这些化合物具有有价值的药理特性，特别是与GPR40受体结合并调节其活性。这些化合物适用于治疗和预防受该受体影响的疾病，如代谢性疾病，特别是2型糖尿病。
• 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。