1-fluoro-4-bromo-2,2-dimethyl-butan-3-one | 72965-01-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-fluoro-4-bromo-2,2-dimethyl-butan-3-one
• 英文别名: 1-bromo-3,3-dimethyl-4-fluoro-butan-2-one；1-bromo-3,3-dimethyl-4-fluoro-2-butanone；1-bromo-4-fluoro-3,3-dimethylbutan-2-one
• CAS: 72965-01-6
• 化学式: C₆H₁₀BrFO
• 分子量: 197.047
• InChiKey: NWOXZQJTXPSFPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 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：
  2

反应信息

• 作为反应物：
  描述：

  1-fluoro-4-bromo-2,2-dimethyl-butan-3-one 生成 1-(2,4-dichlorophenoxy)-3,3-dimethyl-4-fluoro-2-butanone
  参考文献：
  名称：

  KRAMER WOLFGANG,BUECHEL KARL-HEINZ,SATTLER JOERG,PLEMPEL MANFRED,HALLER I+

  摘要：

  DOI：
• 作为产物：
  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

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。
• 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。
• 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 pests with substituted alkanylazolyl oxime-carbamates
  申请人：Bayer Aktiengesellschaft

  公开号：US04344953A1

  公开（公告）日：1982-08-17

  Substituted alkanyl-azolyl oxime-carbamates of the formula ##STR1## in which Az represents an optionally substituted azolyl radical, R.sup.1 represents hydrogen or alkyl, R.sup.2 represents hydrogen, alkyl, alkenyl, alkynyl, halogenoalkyl, halogenoalkenyl or alkoxyalkyl, or, provided R.sup.1 represents alkyl, R.sup.2 may represent the --(S).sub.m --R.sup.3 group, R.sup.3 represents alkyl, halogenoalkyl, optionally substituted phenyl, alkoxycarbonyl, the --NR.sup.4 R.sup.5 group or a radical identical to that to which the --(S).sub.n --R.sup.3 group is bonded, R.sup.4 represents alkyl, R.sup.5 represents alkyl, dialkylcarbamoyl, alkoxycarbonyl, alkenyloxycarbonyl, alkynyloxycarbonyl or optionally substituted phenylsulphonyl, or R.sup.4 and R.sup.5, together with the N atom, represent a ring, which optionally contains a further hetero-atom, X represents substituted alkyl, m represents 1 or 2 and n represents 0 or 1, and physiologically acceptable acid addition salts and metal salt complexes thereof which possess arthropodicidal and nematocidal properties.

  公式为##STR1##的替代烷基-唑基羟肟-氨基甲酸酯，其中Az代表一个可选择替代的唑基基团，R.sup.1代表氢或烷基，R.sup.2代表氢、烷基、烯基、炔基、卤代烷基、卤代烯基或烷氧基，或者，如果R.sup.1代表烷基，则R.sup.2可以代表--(S).sub.m --R.sup.3基团，R.sup.3代表烷基、卤代烷基、可选择替代的苯基、烷氧羰基、--NR.sup.4 R.sup.5基团或与--(S).sub.n --R.sup.3基团结合的基团相同的基团，R.sup.4代表烷基，R.sup.5代表烷基、二烷基氨基甲酰基、烷氧羰基、烯基氧羰基、炔基氧羰基或可选择替代的苯基磺酰基，或者R.sup.4和R.sup.5与氮原子一起代表一个环，该环可选择包含另一个杂原子，X代表替代烷基，m代表1或2，n代表0或1，以及具有节肢动物杀虫和线虫杀虫性能的生理上可接受的酸盐和金属盐络合物。