4-氟-3-(氟甲基)-3-甲基-2-丁酮 | 74758-90-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氟-3-(氟甲基)-3-甲基-2-丁酮
• 英文名称: 3,3-bis-fluoromethyl-butan-2-one
• 英文别名: 3,3-bisfluoro-methyl-butan-2-one；3,3-bisfluoromethyl-butan-2-one；4-Fluoro-3-(fluoromethyl)-3-methylbutan-2-one
• CAS: 74758-90-0
• 化学式: C₆H₁₀F₂O
• 分子量: 136.142
• InChiKey: FMTQEESQZPMFRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 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：

  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
• 作为产物：
  描述：

  2-acetyl-2-methyl-propane-1,3-diol bismethanesulphonate 在 potassium fluoride 作用下， 以 三缩四乙二醇 为溶剂， 生成 4-氟-3-(氟甲基)-3-甲基-2-丁酮
  参考文献：
  名称：

  Combating fungi with 1-phenoxy-1-triazolyl-3-fluoromethyl-butane

  摘要：

  该公式的1-苯氧基-1-三唑基-3-氟甲基丁烷衍生物，其中Az为1,2,4-三唑-1-基或1,2,4-三唑-4-基，B为--CO--或--CH(OH)--，X为氢或氟，Z各自独立为卤素、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作用。

  公开号：

  US04382944A1

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。
• 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。
• Combating fungi with 1-phenoxy-1-triazolyl-3-fluoromethyl-butane
  申请人：Bayer Aktiengesellschaft

  公开号：US04382944A1

  公开（公告）日：1983-05-10

  1-Phenoxy-1-triazolyl-3-fluoromethyl-butane derivatives of the formula ##STR1## in which Az is 1,2,4-triazol-1-yl or 1,2,4-triazol-4-yl, B is --CO-- or --CH(OH)--, X is hydrogen or fluorine, Z each independently is halogen, alkyl, nitro, cyano, alkoxy-carbonyl or optionally substituted phenyl, and n is 0, 1, 2 or 3, or an acid or metal salt adduct thereof which possess fungicidal properties.

  该公式的1-苯氧基-1-三唑基-3-氟甲基丁烷衍生物，其中Az为1,2,4-三唑-1-基或1,2,4-三唑-4-基，B为--CO--或--CH(OH)--，X为氢或氟，Z各自独立为卤素、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作用。
• Combating fungi with 1-phenoxy -1-imidazol-1-yl-4-fluoro-butane
  申请人：Bayer Aktiengesellschaft

  公开号：US04419361A1

  公开（公告）日：1983-12-06

  1-Phenoxy-1-imidazol-1-yl-4-fluoro-butane derivatives of the formula ##STR1## in which B is --CO- or --CH(OH)--, X is hydrogen or fluorine, Z each independently is halogen, alkyl, nitro, cyano, alkoxy-carbonyl or optionally substituted phenyl, and n is 0, 1, 2 or 3, or an acid or metal salt adduct thereof, which possess fungicidal properties.

  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。
• Substituted acetylene-ketones
  申请人：Bayer Aktiengesellschaft

  公开号：US04625066A1

  公开（公告）日：1986-11-25

  Novel substituted acetylene-ketones of the formula R.sup.2 --C.tbd.C--CO--R.sup.1 (I) in which R.sup.1 represents optionally substituted cycloalkyl with 4 to 7 carbon atoms or the groupings ##STR1## or represents optionally substituted aryl, if R.sup.2 represents optionally substituted cycloalkenyl or optionally substituted cycloalkylalkyl; R.sup.2 represents alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkenyl, optionally substituted cycloalkylalkyl, optionally substituted aryl or optionally substituted aralkyl; R.sup.3 represents halogen; R.sup.4 represents hydrogen or halogen; R.sup.5 represents alkyl with more than 1 carbon atom, alkenyl, alkinyl or the CHO group or a derivative thereof, or represents methyl, if R.sup.2 represents optionally substituted cycloalkenyl or optionally substituted cycloalkylalkyl; R.sup.6 represents cyano, optionally substituted aryl or the groupings --XR.sup.7 or --CONR.sup.8 R.sup.9 ; R.sup.7 represents alkyl, halogenoalkyl, optionally substituted aryl or optionally substituted aralkyl; R.sup.8 represents hydrogen, alkyl or optionally substituted aryl; R.sup.9 represents hydrogen or alkyl; X represents O, S, SO or SO.sub.2 and the index n represents the numbers 0 or 1. The new compounds are valuable intermediates for the synthesis of substances having plant growth-regulating and fungicidal properties.

  公式为R.sup.2 --C.tbd.C--CO--R.sup.1 (I)的新型替代乙炔酮中，R.sup.1代表4至7个碳原子的可选取代环烷基或基团##STR1##或可选取代芳基，如果R.sup.2代表可选取代的环烷烯基或可选取代的环烷基烷基；R.sup.2代表烷基，可选取代的环烷基，可选取代的环烷烯基，可选取代的环烷基烷基，可选取代的芳基或可选取代的芳基烷基；R.sup.3代表卤素；R.sup.4代表氢或卤素；R.sup.5代表多于1个碳原子的烷基，烯基，炔基或CHO基或其衍生物，或代表甲基，如果R.sup.2代表可选取代的环烷烯基或可选取代的环烷基烷基；R.sup.6代表氰基，可选取代的芳基或基团--XR.sup.7或--CONR.sup.8R.sup.9；R.sup.7代表烷基，卤代烷基，可选取代的芳基或可选取代的芳基烷基；R.sup.8代表氢，烷基或可选取代的芳基；R.sup.9代表氢或烷基；X代表O，S，SO或SO.sub.2，指数n代表数字0或1。这些新化合物是合成具有植物生长调节和杀菌性能的物质的有价值的中间体。