1-bromo-4-fluoro-3-(fluoromethyl)-3-methylbutan-2-one | 76957-47-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-bromo-4-fluoro-3-(fluoromethyl)-3-methylbutan-2-one
• 英文别名: 3,3-bis-fluoromethyl-1-bromo-butan-2-one；3,3-bisfluoromethyl-1-bromo-butan-2-one；3,3-bisfluoromethyl-1-bromobutan-2-one
• CAS: 76957-47-6
• 化学式: C₆H₉BrF₂O
• 分子量: 215.038
• InChiKey: HEHVRODTZYWRRD-UHFFFAOYSA-N

物化性质

• 沸点：
  218.0±30.0 °C(Predicted)
• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  4
• 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：
  3

反应信息

• 作为反应物：
  描述：

  1-bromo-4-fluoro-3-(fluoromethyl)-3-methylbutan-2-one 在 正丁基锂 、 sodium hydride 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.33h， 生成
  参考文献：
  名称：

  Novel Heterocyclic Thiosubstituted Alkanol Derivatives

  摘要：

  本发明涉及新型杂环硫代烷醇衍生物，涉及制备这些化合物的方法，涉及包含这些化合物的组合物以及它们作为生物活性化合物的用途，特别是用于控制农作物保护中的有害微生物和材料保护以及植物生长调节剂。

  公开号：

  US20120035051A1
• 作为产物：
  描述：

  4-氟-3-(氟甲基)-3-甲基-2-丁酮 在 溴 作用下， 以 二氯甲烷 为溶剂， 生成 1-bromo-4-fluoro-3-(fluoromethyl)-3-methylbutan-2-one
  参考文献：
  名称：

  Combating fungi with acylated imidazolyl-gamma-fluoropinacolyl

  摘要：

  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.

  公开号：

  US04415586A1

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] PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE<br/>[FR] PIPÉRIDINYLPYRAZOLOPYRIMIDINONES ET LEUR UTILISATION
  申请人：BAYER PHARMA AG

  公开号：WO2016071216A1

  公开（公告）日：2016-05-12

  The present application relates to novel substituted piperidinylpyrazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired hemostatic disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of heavy menstrual bleeding, postpartum hemorrhage, hemorrhagic shock, hemorrhagic cystitis, gastrointestinal hemorrhage, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代哌啶基吡唑吡嘧啶酮，以及它们的制备方法，这些化合物可单独或组合使用于治疗和/或预防疾病的方法中，特别是用于治疗和/或预防患有或不患有基础遗传或获得性止血障碍的患者的急性和复发性出血，其中出血与从重经期出血、产后出血、出血性休克、出血性膀胱炎、胃肠道出血、创伤、手术、移植、中风、肝脏疾病、遗传性血管性水肿、鼻血、以及血液积聚后的滑膜炎和软骨损伤等一组疾病或医疗干预有关。
• 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.
• Novel Heterocyclic Alkanol Derivatives
  申请人：NISING Carl Friedrich

  公开号：US20120065062A1

  公开（公告）日：2012-03-15

  The present invention relates to novel heterocyclic alkanol derivatives, to processes for preparing these compounds, to compositions comprising these compounds and to their use as biologically active compounds, in particular for controlling harmful microorganisms in crop protection and in the protection of materials and as plant growth regulators.

  本发明涉及新型杂环脂肪醇衍生物，涉及制备这些化合物的方法，包括含有这些化合物的组合物以及它们作为生物活性化合物的用途，特别是用于控制作物保护中的有害微生物和材料保护以及作为植物生长调节剂。
• Combating fungi with fluorinated 1-azolylbutane derivatives
  申请人：Bayer Aktiengesellschaft

  公开号：US04428949A1

  公开（公告）日：1984-01-31

  A 4-fluoro-1-azolyl-1-phenoxy-butan-2-one or -ol of the formula ##STR1## in which Az is an imidazol-1-yl, 1,2,4-triazol-1-yl or 1,2,4-triazol-4-yl radical, B is a keto or CH(OH) group, X is a hydrogen or fluorine atom, Y is an alkoxy, alkylthio, halogenoalkyl, halogenoalkoxy or halogenoalkylthio radical, Z is a halogen atom or an alkyl radical, m is 1, 2 or 3 and n is 0, 1 or 2, or an addition product thereof with a physiologically acceptable acid or a metal salt, which possesses fungicidal activity.

  一种具有杀真菌活性的4-氟-1-氮唑基-1-苯氧基-丁酮或-醇的化学式##STR1##其中Az为咪唑-1-基、1,2,4-三唑-1-基或1,2,4-三唑-4-基基团，B为酮基或CH(OH)基团，X为氢原子或氟原子，Y为烷氧基、烷基硫氧基、卤代烷基、卤代烷氧基或卤代烷基硫氧基基团，Z为卤原子或烷基基团，m为1、2或3，n为0、1或2，或其与生理学上可接受的酸或金属盐的加合物。