4-氟-3,3-二甲基-2-丁酮 | 72965-00-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氟-3,3-二甲基-2-丁酮
• 英文名称: 1-fluoro-2,2-dimethyl-butan-3-one
• 英文别名: 4-fluoro-3,3-dimethylbutan-2-one；3,3-dimethyl-4-fluoro-butan-2-one；3,3-dimethyl-4-fluoro-2-butanone；4-fluoro-3,3-dimethyl-2-butanone
• CAS: 72965-00-5
• 化学式: C₆H₁₁FO
• 分子量: 118.151
• InChiKey: JHVZDULURDIGDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氟-3,3-二甲基-2-丁酮 在 溴 作用下， 以 氯仿 为溶剂， 生成 1-fluoro-4-bromo-2,2-dimethyl-butan-3-one
  参考文献：
  名称：

  Combating fungi with 1-phenoxy -1-imidazol-1-yl-4-fluoro-butane

  摘要：

  式为##STR1##的1-苯氧基-1-咪唑-1-基-4-氟丁烷衍生物，其中B为--CO-或--CH(OH)--，X为氢或氟，Z分别为卤素、烷基、硝基、氰基、烷氧羰基或可选择取代的苯基，n为0、1、2或3，或其酸或金属盐加合物，具有杀真菌性能。

  公开号：

  US04419361A1
• 作为产物：
  描述：

  3,3-dimethyl-4-[(methylsulphonyl)oxy]-2-butanone 在 potassium fluoride 作用下， 以 三乙二醇 为溶剂， 生成 4-氟-3,3-二甲基-2-丁酮
  参考文献：
  名称：

  Preparation of side-chain fluorinated 3,3-dimethyl-butan-2-one

  摘要：

  3,3-二甲基丁-2-酮的氟衍生物，化学式为##STR1##其中X为氢或氟，通过将一种金属氟化物与一种具有化学式##STR2##其中R为可选择地取代的烷基或可选择地取代的芳基，Y为氢或O--SO.sub.2 --R的磺酸酯在稀释剂和高温下反应而制得。该产品在杀菌剂的合成中有用。

  公开号：

  US04267381A1

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。
• 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.
• Preparation of side-chain fluorinated 3,3-dimethyl-butan-2-one
  申请人：Bayer Aktiengesellschaft

  公开号：US04267381A1

  公开（公告）日：1981-05-12

  A fluorine derivative of 3,3-dimethyl-butan-2-one, of the formula ##STR1## in which X is hydrogen or fluorine, is produced by reacting a metal fluoride in a diluent and at elevated temperature with a sulphonic acid ester of the formula ##STR2## in which R is optionally substituted alkyl or optionally substituted aryl, and Y is hydrogen or O--SO.sub.2 --R. The product is useful in the synthesis of fungicides.

  3,3-二甲基丁-2-酮的氟衍生物，化学式为##STR1##其中X为氢或氟，通过将一种金属氟化物与一种具有化学式##STR2##其中R为可选择地取代的烷基或可选择地取代的芳基，Y为氢或O--SO.sub.2 --R的磺酸酯在稀释剂和高温下反应而制得。该产品在杀菌剂的合成中有用。
• SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS
  申请人：PLAYER Mark R.

  公开号：US20110218197A1

  公开（公告）日：2011-09-08

  The present invention is directed to substituted aza-bicyclic imidazole derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by TRP M8, including for example, inflammatory pain, inflammatory hyperalgesia, inflammatory hypersensitivity condition, neuropathic pain, neuropathic cold allodynia, inflammatory somatic hyperalgesia, inflammatory visceral hyperalgesia, cardiovascular disease aggravated by cold and pulmonary disease aggravated by cold.

  本发明涉及替代的氮杂双环咪唑衍生物，含有它们的药物组合物以及它们在治疗由TRP M8调节的疾病和症状中的用途，包括但不限于炎症性疼痛、炎症性过敏症、炎症性过敏性疾病、神经病性疼痛、神经性寒冷痛觉过敏、炎症性体感过敏、炎症性内脏过敏、受寒加重的心血管疾病和受寒加重的肺部疾病。