2,2-dimethyl-3R-(2',2'-difluorovinyl)-cyclopropane-1R-carboxylic acid | 55701-00-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,2-dimethyl-3R-(2',2'-difluorovinyl)-cyclopropane-1R-carboxylic acid
• 英文别名: [1R,Cis]-3-(2,2-difluorovinyl)2,2-dimethyl cyclopropane carboxylic acid；(1R,3R)-3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
• CAS: 55701-00-3
• 化学式: C₈H₁₀F₂O₂
• 分子量: 176.163
• InChiKey: DPZZOBZIZRBXFQ-NJGYIYPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-3R-(2',2'-difluorovinyl)-cyclopropane-1R-carboxylic acid 在 溴 作用下， 以 四氯化碳 为溶剂， 生成 [cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-(1,2-dibromo-2,2-difluoroethyl)-2,2-dimethylcyclopropane-1-carboxylate
  参考文献：
  名称：

  DE2742546

  摘要：

  公开号：

文献信息

• Novel cyclopropane carboxylic acid esters
  申请人：Roussel Uclaf

  公开号：US04224227A1

  公开（公告）日：1980-09-23

  Novel cyclopropane carboxylic acid esters of the formula ##STR1## wherein X.sub.1 is selected from the group consisting of hydrogen, fluorine, chlorine and bromine, X.sub.2 is selected from the group consisting of fluorine, chlorine and bromine, X.sub.3 is selected from the group consisting of chlorine, bromine and iodine and R is selected from the group consisting of ##STR2## and benzyl optionally substituted with at least one member of the group consisting of alkyl of 1 to 4 carbon atoms, alkenyl of 2 to 6 carbon atoms, alkenyloxy of 2 to 6 carbon atoms, alkadienyl of 4 to 8 carbon atoms, methylenedioxy, benzyl and halogens, R.sub.1 is selected from the group consisting of hydrogen and methyl, R.sub.2 is selected from the group consisting of monocyclic aryl and --CH.sub.2 --C.tbd.CH,R.sub.3 is an aliphatic of 2 to 6 carbon atoms having at least one double bond, R.sub.4 is selected from the group consisting of hydrogen, --CN and --C.tbd.CH, R.sub.5 is selected from the group consisting of chlorine and methyl, n is 0, 1 or 2, R.sub.6, R.sub.7, R.sub.8 and R.sub.9 are individually selected from the group consisting of hydrogen, chlorine and methyl and S/I indicates that the ring may be aromatic, dihydro or tetrahydro having pesticidal properties, and a process for their preparation.

  化合物的名称为新颖的环丙烷羧酸酯，其化学式为##STR1## 其中X.sub.1从氢、氟、氯和溴的群体中选择，X.sub.2从氟、氯和溴的群体中选择，X.sub.3从氯、溴和碘的群体中选择，R从##STR2##和苄基中选择，后者可选择用1至4个碳原子的烷基、2至6个碳原子的烯基、2至6个碳原子的烯氧基、4至8个碳原子的烯二烯基、亚甲二氧基、苯甲基和卤素中的至少一种成员替代，R.sub.1从氢和甲基的群体中选择，R.sub.2从单环芳基和--CH.sub.2 --C.tbd.CH的群体中选择，R.sub.3是具有至少一个双键的2至6个碳原子的脂肪基，R.sub.4从氢、--CN和--C.tbd.CH的群体中选择，R.sub.5从氯和甲基的群体中选择，n为0、1或2，R.sub.6、R.sub.7、R.sub.8和R.sub.9分别从氢、氯和甲基的群体中选择，S/I表示环可以是具有杀虫性质的芳香、二氢或四氢，并提供了它们的制备方法。
• Phthalimidomethyl cyclopropane carboxylic acid esters
  申请人：Roussel Uclaf

  公开号：US04231932A1

  公开（公告）日：1980-11-04

  Novel cyclopropane carboxylic acid esters of the formula ##STR1## wherein X.sub.1 is selected from the group consisting of hydrogen, fluorine, chlorine and bromine, X.sub.2 is selected from the group consisting of fluorine, chlorine and bromine, X.sub.3 is selected from the group consisting of chlorine, bromine and iodine and R is selected from the group consisting of ##STR2## and benzyl optionally substituted with at least one member of the group consisting of alkyl of 1 to 4 carbon atoms, alkenyl of 2 to 6 carbon atoms, alkenyloxy of 2 to 6 carbon atoms, alkadienyl of 4 to 8 carbon atoms, methylenedioxy, benzyl and halogens, R.sub.1 is selected from the group consisting of hydrogen and methyl, R.sub.2 is selected from the group consisting of monocyclic aryl and --CH.sub.2 --C.tbd.CH,R.sub.3 is an aliphatic of 2 to 6 carbon atoms having at least one double bond, R.sub.4 is selected from the group consisting of hydrogen, --CN and --C.tbd.CH, R.sub.5 is selected from the group consisting of chlorine and methyl, n is 0, 1 or 2, R.sub.6, R.sub.7, R.sub.8 and R.sub.9 are individually selected from the group consisting of hydrogen, chlorine and methyl and S/I indicates that the ring may be aromatic, dihydro or tetrahydro having pesticidal properties, and a process for their preparation.

  化合物的名称为新型环丙烷羧酸酯，其化学式为##STR1##其中X1为氢、氟、氯和溴中的一种，X2为氟、氯和溴中的一种，X3为氯、溴和碘中的一种，R为##STR2##和苄基，可选地被替换为1至4个碳原子的烷基，2至6个碳原子的烯基，2至6个碳原子的烯氧基，4至8个碳原子的烯二烷基，亚甲二氧基，苯甲基和卤素中的至少一个成员。R1为氢和甲基中的一种，R2为单环芳基和--CH2--C.tbd.CH中的一种，R3为具有至少一个双键的2至6个碳原子的脂肪基，R4为氢、--CN和--C.tbd.CH中的一种，R5为氯和甲基中的一种，n为0、1或2，R6、R7、R8和R9分别为氢、氯和甲基中的一种，S/I表示环可以是芳香、二氢或四氢，具有杀虫性能，以及其制备方法。
• Polyhalogenated carboxylic acids
  申请人：Roussel UCLAF

  公开号：US04179575A1

  公开（公告）日：1979-12-18

  Novel polyhalogenated cyclopropane carboxylic acid compounds of the formula ##STR1## wherein X.sub.1 is selected from the group consisting of hydrogen, fluorine, chlorine and bromine, X.sub.2 is selected from the group consisting of fluorine, chlorine and bromine, X.sub.3 is selected from the group consisting of chlorine, bromine and iodine and R is selected from the group consisting of hydroxy, halogen, alkoxy of 1 to 7 carbon atoms or R represents OM group wherein M is selected from the group consisting of metal, organic base, acyl of an organic carboxylic acid and an acyl of the said acid in any of the possible isomer forms which are useful as intermediates for the production of pesticidal esters thereof and which also possess antifungal and biocidal activity.

  化合物的名称为Novel polyhalogenated cyclopropane carboxylic acid compounds，化学式为##STR1## 其中X.sub.1 可选自氢、氟、氯和溴，X.sub.2 可选自氟、氯和溴，X.sub.3 可选自氯、溴和碘，R 可选自羟基、卤素、1到7个碳原子的烷氧基或R代表OM基团，其中M可选自金属、有机碱、有机羧酸酰基和该酸的酰基，其可能的异构体形式有用于制造其杀虫酯中间体的，并且具有抗真菌和生物杀灭活性。
• Esters de dérivés de l'alléthrolone et d'acides carboxyliques, leur procédé de préparation et les compositions les renfermant
  申请人：ROUSSEL-UCLAF

  公开号：EP0018894A1

  公开（公告）日：1980-11-12

  L'invention concerne les composés l': dans laquelle R1 et R2, identiques ou différents, representent un groupement carbamoyle ou R', et R'2, R'1 et R'2, identi- ques ou différents, représentent un hydrogène, un halogène, un alcoyle de 1 à 6 carbones, un aryle de 6 à 10 carbones, un aralcoyle de 7 à 13 carbones, un alcoyloxycarbonyle de 2 à 5 carbones ou un cyano, R3 et R'3, identiques ou différents, représentent un hydrogène, un halogène ou un alcoyle saturé ou non de 1 à 3 carbones, Y' représente un reste d'acide cyclopropane carboxylique substitué ou un reste d'acide phényl acétique substitué. L'invention concerne également le procédé de préparation des composés l' ainsi que les compositions insecticides, acaricides, nématicides, antifongiques, les compositions pharmaceutiques à usages vétérinaires et diverses associations renfermant le composés l'.

  本发明涉及化合物 l'： 其中R1和R2相同或不同，代表氨基甲酰基或R'，R'2、R'1和R'2相同或不同，代表氢、卤素、1至6个碳原子的烷基、6至10个碳原子的芳基、7至13个碳原子的芳烷基R3和R'3可以相同或不同，代表氢、卤素或 1 至 3 个碳的饱和或不饱和烷基，Y'代表取代的环丙烷羧酸残基或取代的苯乙酸残基。 本发明还涉及化合物 I'的制备过程和杀虫、杀螨、杀线虫和抗真菌组合物、兽用药物组合物以及含有化合物 I'的各种组合物。
• [EN] 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS<br/>[FR] COMPOSES DU 1,4,5-TRIPHENYLE PYRAZOLYLE DESTINES AU TRAITEMENT DES INFLAMMATIONS ET DES TROUBLES LIES AUX INFLAMMATIONS
  申请人：G.D. SEARLE & CO.

  公开号：WO1995015317A1

  公开（公告）日：1995-06-08

  (EN) A class of 1,4,5-triphenyl pyrazoles is described for the treatment of inflammation, including treatment of pain and disorders such as arthritis. Compounds of particular interest are of formula (II), wherein R1 is selected from the group hydrido, halo, alkyl, alkylthio, alkylsulfinyl, alkylsulfonyl, nitro, amino, N-monoalkylamino, N,N-dialkylamino, acylamino, acylaminoalkyl, haloalkyl, hydroxy and alkoxy; wherein R2 is selected from hydrido, alkyl, cyano and haloalkyl; wherein R3 is selected from the group hydrido, halo, alkyl, alkylthio, alkylsulfinyl, alkylsufonyl, nitro, amino, N-monoalkylamino, N,N-dialkylamino, acylamino, acylaminoalkyl, haloalkyl, hydroxy and alkoxy; and wherein R4 is alkyl or amino; or a pharmaceutically-acceptable salt thereof.(FR) La présente invention concerne une classe de 1,4,5-triphényle pyrazoles destinés au traitement des inflammations, y compris le traitement des douleurs et troubles tels que l'arthrite. Les composés présentant un intérêt tout particulier sont conformes à la formule générale (II), où R1 est sélectionné dans le groupe hydrido, halo, alkyle, alkylthio, alkylsulfinyle, alkylsulfonyle, nitro, amino, N-monoalkylamino, N,N-dialkylamino, acylamino, acylaminoalkyle, haloalkyle, hydroxy et alcoxy; où R2 est sélectionné dans le groupe hydrido, alkyle, cyano et aloalkyle; où R3 est sélectionné dans le groupe hydrido, halo, alkyle, alkylthio, alkylsulfinyle, alkylsulfonyle, nitro, amino, N-monoalkylamino, N,N-dialkylamino, acylamino, acylaminoalkyle, haloalkyle, hydroxy et alcoxy; et où R4 est alkyle ou amino; ou un des ses sels compatibles sur le plan pharmaceutique.

  以下是一段英文文本的中文翻译： *(EN) 一种1,4,5-三苯杂二噁唑类化合物的类群被描述为用于治疗炎症，包括治疗痛觉和类风湿关节炎等炎症性疾病。特别感兴趣的是以下化合物的公式(II)，其中R1被选自hydrido、halo、alkyl、alkylthio、alkylsulfinyl、alkylsulfonyl、nitro、amino、N-monoalkylamino、N,N-dialkylamino、acylamino、acylamino-alkyl、haloalkyl、hydroxy和alkoxy；R2被选自hydrido、alkyl、cyano和haloalkyl；R3被选自hydrido、halo、alkyl、alkylthio、alkylsulfinyl、alkylsulfonyl、nitro、amino、N-monoalkylamino、N,N-dialkylamino、acylamino、acylamino-alkyl、haloalkyl、hydroxy和alkoxy；而R4为甲基或氨基；或其 pharmaceutically-acceptable 盐。*(FR) 本发明涉及一类 1,4,5-三苯杂二噁唑化合物，用于炎症治疗，包括治疗疼痛和类风湿关节炎等相关炎症性疾病。特别值得注意的是，符合以下一般式（II）的化合物，其中，R1被选自hydrido、halo、alkyl、alkylthio、alkylsulfinyl、alkylsulfonyl、nitro、amino、 N-monoalkylamino、N,N-dialkylamino、acylamino、acylamino-alkyl、haloalkyl、hydroxy和alkoxy；R2被选自hydrido、alkyl、cyano和haloalkyl；R3被选自hydrido、halo、alkyl、alkylthio、alkylsulfinyl、alkylsulfonyl、nitro、amino、 N-monoalkylamino、N,N-dialkylamino、acylamino、acylamino-alkyl、haloalkyl、hydroxy和alkoxy；其中，R4为甲基或氨基；或其 pharmaceutically-acceptable 盐。