3,3-dimethyl-4-[(methylsulphonyl)oxy]-2-butanone | 4301-02-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3,3-dimethyl-4-[(methylsulphonyl)oxy]-2-butanone
• 英文别名: 2,2-dimethyl-3-oxobutyl methanesulfonate；4-(Mesyloxy)-3,3-dimethyl-2-butanone；4-mesyloxy-3,3-dimethyl-2-butanone；2,2-dimethyl-3-oxo-1-butyl methanesulphonate；2,2-dimethyl-3-oxo-butyl methanesulphonate；methanesulfonic acid 2,2-dimethyl-3-oxo-butyl ester；(2,2-dimethyl-3-oxobutyl) methanesulfonate
• CAS: 4301-02-4
• 化学式: C₇H₁₄O₄S
• 分子量: 194.252
• InChiKey: KYGTUAYBXXZMFE-UHFFFAOYSA-N

物化性质

• 沸点：
  321.7±25.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-4-[(methylsulphonyl)oxy]-2-butanone 在 溴 、 lithium chloride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1,1-dimethyl-2-chloroethyl bromomethyl ketone
  参考文献：
  名称：

  Synthesis of 1-Amino-2,2-dialkylcyclopropanecarboxylic Acids via Base-Induced Cyclization of .gamma.-Chloro-.alpha.-imino Esters

  摘要：

  beta-Chloro ketones were oxidatively transformed into alpha-keto carboxylic esters and condensed with primary amines in the presence of titanium(IV) chloride. Base-induced cyclization of the resulting gamma-chloro-alpha-imino esters, incorporating suitable N-substituents, led directly to 1-amino-2,2-dialkyl- cyclopropanecarboxylic ester derivatives via a 1,5-dehydrochlorination process. Syntheses of different N- and/or carboxyl-protected geminally (gem) dialkylated cyclopropane amino acids were developed, while access to the free alpha-amino acids is also given. The methodology used was further extended by reduction of the gamma-chloro-alpha-imino esters to functionalized gamma-chloro-alpha-amino esters,prior to ring closure, affording N-alkyl-gem-dialkyl-1-aminocyclopropanecarboxylic acid derivatives.

  DOI：

  10.1021/jo00102a022
• 作为产物：
  描述：

  2,2-二甲基-1,3-丁二醇 在 chromium(VI) oxide 作用下， 生成 3,3-dimethyl-4-[(methylsulphonyl)oxy]-2-butanone
  参考文献：
  名称：

  Nerdel,F.; Kretzschmar,U., Justus Liebigs Annalen der Chemie, 1965, vol. 688, p. 61 - 66

  摘要：

  DOI：

文献信息

• Acylated triazolyl-.gamma.-fluoropinacolyl derivatives and their use as
  申请人：Bayer Aktiengesellschaft

  公开号：US04359470A1

  公开（公告）日：1982-11-16

  Fungicidally active acylated triazolyl-.gamma.-fluoropinacolyl derivatives of the formula ##STR1## in which Az represents 1,2,4-triazol-1-yl or 1,2,4-triazol-4-yl, R represents alkyl, alkenyl, alkynyl, alkoxy, alkoxyalkyl, cycloalkyl, halogenoalkyl, optionally substituted phenyl, optionally substituted phenylalkyl, optionally substituted phenoxyalkyl, alkylamino, dialkylamino, optionally substituted phenylamino, halogenoalkylamino, alkoxycarbonylamino or alkoxyalkylamino, X represents halogen, alkyl, cycloalkyl, alkoxy, halogenoalkyl, alkylthio, alkoxycarbonyl, optionally substituted phenyl, optionally substituted phenoxy, optionally substituted phenylalkyl, cyano or nitro, each Z being selected independently, and n represents 0 or an interger from 1 to 5, or a physiologically acceptable acid addition salt or metal salt complex thereof.

  公式为##STR1##的具有杀菌活性的酰化三唑基-γ-氟代脱羟基衍生物，其中Az代表1,2,4-三唑-1-基或1,2,4-三唑-4-基，R代表烷基、烯基、炔基、烷氧基、烷氧基烷基、环烷基、卤代烷基、可选择取代的苯基、可选择取代的苯基烷基、可选择取代的苯氧基烷基、烷基氨基、二烷基氨基、可选择取代的苯基氨基、卤代烷基氨基、烷氧羰基氨基或烷氧基烷基氨基，X代表卤素、烷基、环烷基、烷氧基、卤代烷基、烷基硫醚、烷氧羰基、可选择取代的苯基、可选择取代的苯氧基、可选择取代的苯基烷基、氰基或硝基，每个Z独立选择，n代表0或1到5之间的整数，或其生理上可接受的酸盐或金属盐络合物。
• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• [EN] PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME<br/>[FR] COMPOSÉS DE PYRONE ET HERBICIDES LES COMPRENANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2014058037A1

  公开（公告）日：2014-04-17

  The present invention provides a compound having an excellent efficacy for controlling weeds. A pyrone compound of formula (I): wherein m is 1, 2 or 3; n is an integer of any one of 1 to 5; X represents O, S, S(O) or S(O)2; R1 represents a hydrogen atom or a methyl group; R2 and R3 represents a hydrogen atom, an C1-6 alkyl group and the like; R4 represents an C6-10 aryl group or a five- to six- membered heteroaryl group; G represents a hydrogen atom and the like; Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, an C1-6 alkyl group and the like; is useful as an active ingredient for herbicides.

  本发明提供了一种具有优异除草效果的化合物。式（I）的吡喯化合物：其中m为1、2或3；n为1至5中的任意整数；X代表O、S、S（O）或S（O）2；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；R4代表C6-10芳基或五元至六元杂芳基；G代表氢原子等；Z代表卤原子、氰基、硝基、苯基、C1-6烷基基团等；作为除草剂的活性成分。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• Combating fungi with acylated imidazolyl-gamma-fluoropinacolyl
  申请人：Bayer Aktiengesellschaft

  公开号：US04415586A1

  公开（公告）日：1983-11-15

  Fungicidally active acylated imidazolyl-.gamma.-fluoropiniacolyl derivatives of the formula ##STR1## in which R represents alkyl, alkenyl, alkynyl, alkoxy, alkoxyalkyl, cycloalkyl, halogenoalkyl, optionally substituted phenyl, optionally substituted phenylalkyl, optionally substituted phenoxyalkyl, alkylamino, dialkylamino, optionally substituted phenylamino, halogenoalkylamino, alkoxycarbonylamino or alkoxyalkylamino, X represents hydrogen or fluorine, Z represents halogen, alkyl, cycloalkyl, alkoxy, halogenoalkyl, alkylthio, alkoxycarbonyl, optionally substituted phenyl, optionally substituted phenoxy, optionally substituted phenylalkyl, cyano or nitro, each Z being selected independently, and n represents 0 or an integer from 1 to 5, or a physiologically acceptable acid addition salt or metal salt complex thereof.

  Fungicidally active acylated imidazolyl-.gamma.-fluoropiniacolyl derivatives of the formula ##STR1## in which R represents alkyl, alkenyl, alkynyl, alkoxy, alkoxyalkyl, cycloalkyl, halogenoalkyl, optionally substituted phenyl, optionally substituted phenylalkyl, optionally substituted phenoxyalkyl, alkylamino, dialkylamino, optionally substituted phenylamino, halogenoalkylamino, alkoxycarbonylamino or alkoxyalkylamino, X represents hydrogen or fluorine, Z represents halogen, alkyl, cycloalkyl, alkoxy, halogenoalkyl, alkylthio, alkoxycarbonyl, optionally substituted phenyl, optionally substituted phenoxy, optionally substituted phenylalkyl, cyano or nitro, each Z being selected independently, and n represents 0 or an integer from 1 to 5, or a physiologically acceptable acid addition salt or metal salt complex thereof.