1,1-二氯-2-甲氧基乙烷 | 34862-07-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1-二氯-2-甲氧基乙烷
• 英文名称: 1,1-dichloromethyl methyl ether
• 英文别名: 2,2-Dichloroethyl methyl ether；dichloromethylmethyl ether；α,α-dichloromethylmethyl ether；2,2-dichloroethyl-methylether；2,2-dichloroethylmethylether；dichloromethyl methylether；1,1-Dichloro-2-methoxyethane
• CAS: 34862-07-2
• 化学式: C₃H₆Cl₂O
• 分子量: 128.986
• InChiKey: QUCLHUUEEKVBGT-UHFFFAOYSA-N

物化性质

• 熔点：
  33°C
• 沸点：
  166.24°C (rough estimate)
• 密度：
  1.2260
• 大气OH速率常数：
  2.27e-12 cm3/molecule*sec
• 保留指数：
  784.9

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• 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

安全信息

• 危险等级：
  6.1(a)
• 包装等级：
  I
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 2929

反应信息

• 作为反应物：
  描述：

  1,1-二氯-2-甲氧基乙烷 在 氢氧化钾 作用下， 生成 2-chlorovinyl methyl ether
  参考文献：
  名称：

  Process for preparing substituted acetals of malondialdehyde

  摘要：

  一种从邻甲酸酯和取代乙烯醚在酸性催化剂存在下制备丙二醛的2-取代和2,2-二取代缩醛的过程。

  公开号：

  US06395920B1
• 作为试剂：
  描述：

  3-methoxymethyl-5-tert-butylfuran-2-carboxylic acid chloride 在 zinc(II) chloride 、 1,1-二氯-2-甲氧基乙烷 作用下， 以 氯仿 、 苯 为溶剂， 反应 22.0h， 生成 ethyl 3-(3-chloromethyl-5-tert-butylfur-2-yl)-3-(diethoxyphosphoryl)acrylate
  参考文献：
  名称：

  Intramolecular Cyclization of Mercaptomethyl Derivatives of Alkyl 3-(Furyl)-3-(diethoxyphosphoryl)acrylates

  摘要：

  DOI：

  10.1134/s1070363221080119

文献信息

• Uncommon Regioselectivity in Thiacalix[4]arene Formylation
  作者：Ondrej Kundrat、Ivana Cisarova、Stanislav Böhm、Michaela Pojarova、Pavel Lhotak

  DOI：10.1021/jo9005574

  日期：2009.6.19

  the formylation reactions (Gross and/or Duff conditions) of the corresponding tetrapropoxythiacalix[4]arene immobilized in the 1,3-alternate conformation were systematically studied. Surprisingly, albeit using an excess of the formylation agent, only two formyl groups were introduced exclusively into the meta positions of thiacalixarene skeleton. Unexpected regioselectivity of these reactions opens

  为了揭示上边缘噻cali杂芳烃衍生化的替代方法，系统地研究了固定在1,3-交替构象中的相应四丙氧基硫杂杯[4]芳烃的甲酰化反应（Gros和/或Duff条件）。出人意料的是，尽管使用过量的甲酰化剂，但是仅两个甲酰基仅引入到噻菌杯芳烃骨架的间位。这些反应的意外区域选择性打开了噻咯烷芳烃化学中独特取代模式的大门。间位取代醛的形成是另一个例证，表明噻唑杯[4]芳烃体系的反应性与传统花萼[4]芳烃类似物的反应性显着不同。
• [EN] SULFONAMIDES AS TRPM8 MODULATORS<br/>[FR] SULFONAMIDES COMME MODULATEURS TRPM8
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009012430A1

  公开（公告）日：2009-01-22

  ABSTRACT Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein A, B, G, Y, R1, R2, R3, and R4 are defined herein.

  摘要：本文披露了用于治疗各种疾病、综合症、症状和疾病的化合物、组合物和方法，包括疼痛。这些化合物由以下公式（I）表示：其中A、B、G、Y、R1、R2、R3和R4在此处定义。
• [EN] AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN<br/>[FR] HETEROCYCLES AMINES EN TANT QU'ANTAGONISTES DU RECEPTEUR VANILLOIDE (VR-1) POUR LE TRAITEMENT DE LA DOULEUR
  申请人：MERCK SHARP & DOHME

  公开号：WO2004046133A1

  公开（公告）日：2004-06-03

  the present invention provides a compound of formula (I): wherein V represents NR5, O, S, SO or S(O)2; W and X each independently represent CH or N; Y represents N, CH or C-Ar2, with the proviso that at least one, but no more than two, of W, X and Y are N; Z represents CH or C-Ar2, with the proviso that when Y is N or CH then Z is C-Ar2, and with the further proviso that when Y is C-Ar2 then Z is CH; Ar1 represents a fused 9 or 10 membered heterobicyclic ring system containing one, two, three or four heteroatoms selected from nitrogen, oxygen and sulfur, wherein at least one of the rings in said ring system is aromatic; Ar2 represents an aromatic ring selected from phenyl, pyridyl, pyrimidinyl and pyridazinyl which is optionally fused and substituted; R1 represents halogen, hydroxy, oxo, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, haloC1-6alkyl, hydroxyC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy, hydroxyC1-6alkoxy, C3-7cycloalkyl, C3-7cycloalkoxy, C3-5cycloalkylC1-4alkyl, cyano, nitro, SR6, SOR6, SO2R6, COR6, NR3COR6, CONR3R4, NR3SO2R6, SO2NR3R4, -(CH2)mcarboxy, esterified -(CH2)mcarboxy or -(CH2)mNR3R4; R2 represents hydrogen, halogen, hydroxy, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy, haloC1-6alkoxy, unsubstituted phenyl or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; R3 and R4 are each independently hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C3-7cycloalkyl or fluoroC1-6alkyl; or R3 and R4 and the nitrogen atom to which they are attached together form a heteroaliphatic ring of 4 to 7 ring atoms, optionally substituted by one or two groups selected from hydroxy or C1-4alkoxy, which ring may optionally contain as one of the said ring atoms an oxygen or a sulfur atom, S(O), S(O)2, or NR5; R5 represents hydrogen, C1-4alkyl, hydroxyC1-4alkyl or C1-4alkoxyC1-4alkyl; R6 represents hydrogen, C1-6alkyl, fluoroC1-6alkyl, C3-7cycloalkyl, unsubstituted phenyl, or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; m is either zero or an integer from 1 to 4; n is either zero or an integer from 1 to 3; or a pharmaceutically acceptable salt, N-oxide or a prodrug thereof; a pharmaceutical composition comprising it; its use in methods of treatment; use of it for the manufacture of a medicament for treating VR-1 related conditions such as those in which pain and/or inflammation predominate; and methods of treatment using it.

  本发明提供了一种具有以下结构的化合物（I）：其中V代表NR5、O、S、SO或S(O)2；W和X分别独立地代表CH或N；Y代表N、CH或C-Ar2，但至少有一个但不超过两个W、X和Y为N；Z代表CH或C-Ar2，但当Y为N或CH时，则Z为C-Ar2，并进一步规定当Y为C-Ar2时，Z为CH；Ar1代表包含一个、两个、三个或四个从氮、氧和硫中选择的杂原子的融合的9或10成员杂双环系统，其中所述环系中的至少一个环是芳香的；Ar2代表选择自苯基、吡啶基、嘧啶基和吡啶嗪基的芳香环，可以是可选地融合和取代的；R1代表卤素、羟基、氧、C1-6烷基、C2-6烯基、C2-6炔基、卤代C1-6烷基、羟基C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、羟基C1-6烷氧基、C3-7环烷基、C3-7环烷氧基、C3-5环烷基C1-4烷基、氰基、硝基、SR6、SOR6、SO2R6、COR6、NR3COR6、CONR3R4、NR3SO2R6、SO2NR3R4、-(CH2)m羧基、酯化的-(CH2)m羧基或-(CH2)mNR3R4；R2代表氢、卤素、羟基、C1-6烷基、卤代C1-6烷基、C3-7环烷基、C1-6烷氧基、卤代C1-6烷氧基、未取代的苯基或苯基，其上取代有一个或两个从卤素、C1-6烷基、卤代C1-6烷基、C3-7环烷基、C1-6烷氧基或卤代C1-6烷氧基中选择的基团；R3和R4各自独立地代表氢、C1-6烷基、C2-6烯基、C2-6炔基、C3-7环烷基或氟代C1-6烷基；或R3和R4和它们连接的氮原子共同形成一个由4到7个环原子组成的杂原烷环，可选地取代为一个或两个从羟基或C1-4烷氧基中选择的基团，该环可能可选地包含作为所述环原子之一的氧或硫原子、S(O)、S(O)2或NR5；R5代表氢、C1-4烷基、羟基C1-4烷基或C1-4烷氧基C1-4烷基；R6代表氢、C1-6烷基、氟代C1-6烷基、C3-7环烷基、未取代的苯基或苯基，其上取代有一个或两个从卤素、C1-6烷基、卤代C1-6烷基、C3-7环烷基、C1-6烷氧基或卤代C1-6烷氧基中选择的基团；m为零或从1到4的整数；n为零或从1到3的整数；或其药学上可接受的盐、N-氧化物或前药；包含它的药物组合物；其在治疗方法中的用途；用于制造用于治疗VR-1相关病症的药物，例如疼痛和/或炎症占优势的病症的用途；以及使用它的治疗方法。
• Synthesis of new tetracyclic paullone derivatives as potential CDK inhibitors
  作者：Efthimia G. Koutsandrea、Manolis A. Fousteris、Sotiris S. Nikolaropoulos

  DOI：10.1515/hc-2012-0121

  日期：2012.10.1

  Synthetic efforts towards new tetracyclic heterocycles bearing the pyrrolo[2′,3′:5,6]azepino[4,3-b]indol-4(11H)-one core are described. Synthesized tetracyclic compounds are the first analogs, structurally related to protein kinase inhibitors paullones which incorporate an azepinone, an indole and a pyrrole ring. The synthetic approach involves palladium mediated intramolecular Heck coupling as a key step.

  摘要：描述了合成新的四环杂环化合物，其中含有吡咯并[2′,3′:5,6]氮杂杂二环[4,3-b]吲哚-4(11H)-酮核。合成的四环化合物是第一个类似于蛋白激酶抑制剂波隆酮的结构类似物，其中包括一个氮杂吲哚环、一个吲哚环和一个吡咯环。合成方法涉及钯介导的分子内Heck偶联作为关键步骤。
• Synthesis of a functionalised calix[4]arene and its interactions with hemicucurbit[6,7]urils and cucurbit[8]uril
  作者：Jin Ming Zhu、Li Xia Chen、Kai Chen、Xi Zeng、Zhu Tao

  DOI：10.1016/j.tet.2018.06.020

  日期：2018.7

  functionalised calix[4]arene with 5,11-di(N-methyl-E-(4-pyridylethylene) moiety (CX[4]), and investigated interactions of it with HemiMeQ[6], HemiMeQ[7], and Q[8]) in both water and DMSO using fluorescence spectrophotometry and 1H NMR spectroscopy. Titration 1H NMR spectra revealed that Q[n]s prefers to include the N-methyl-E-(4-pyridylethylene) moiety. In particular, the interaction of CX[4] with Q[8]

  在本工作中，我们合成了具有5,11-二（N-甲基-E-（4-吡啶基乙烯）部分（CX [4]）的功能化杯[4]亚芳基，并研究了其与HemiMeQ的相互作用[6]。 ，HemiMeQ [7]和Q [8]）在水中和DMSO中的荧光分光光度法和1 H NMR光谱法。滴定1 H NMR光谱表明，Q [ n ]更优选包括N-甲基-E-（4-吡啶基乙烯）部分。尤其是在水中CX [4]与Q [8]的相互作用导致强烈的荧光发射，并且该相互作用系统可以响应金刚烷胺等化合物。