2,2-bis-(2,2,3,3,4,4,5,5-octafluoro-pentyl)-malononitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2-bis-(2,2,3,3,4,4,5,5-octafluoro-pentyl)-malononitrile
• 英文别名: 2,2-bis(2,2,3,3,4,4,5,5-octafluoropentyl)malononitrile；2,2-bis(2,2,3,3,4,4,5,5-octafluoropentyl)propanedinitrile
• 化学式: C₁₃H₆F₁₆N₂
• 分子量: 494.178
• InChiKey: WETXMBMBFQSCGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  1H,1H,5H-八氟三氟甲烷磺酸戊酯 、 丙二腈 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 4.0h， 生成 2,2-bis-(2,2,3,3,4,4,5,5-octafluoro-pentyl)-malononitrile
  参考文献：
  名称：

  [EN] NITRILE COMPOUND AND ITS USE IN PEST CONTROL
  [FR] COMPOSE NITRILE ET SON UTILISATION POUR LE CONTROLE DES INSECTES ET ANIMAUX NUISIBLES

  摘要：

  本发明提供了一种由式(I)表示的腈化合物：其中R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选择地取代卤素，C2-C6烯基基团可选择地取代卤素，C2-C6炔基可选择地取代卤素，C3-C7环烷基可选择地取代卤素或(C3-C7环烷基可选择地取代卤素)C1-C4烷基，对害虫具有出色的控制效果。

  公开号：

  WO2005063694A1

文献信息

• [EN] 1-(AZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS<br/>[FR] COMPOSÉS 1-(AZOLIN-2-YL)AMINO-1,2-DIPHÉNYLÉTHANE POUR LUTTER CONTRE LES ANIMAUX NUISIBLES
  申请人：BASF SE

  公开号：WO2009004032A1

  公开（公告）日：2009-01-08

  The present invention relates to 1-(azolin-2-yl)amino-1,2-diphenylethane compounds of the formula I and to their salts which are useful for combating animal pests. The invention also relates to a method for controlling animal pests by using these compounds, to seed and to an agricultural and veterinary composition comprising said compounds, wherein A is a radical of formulae A.1 or A.2 wherein # denotes the bond to the remaining compound of formula I, X is selected from O, S and NRx, R1 is selected from the group consisting of -ORA, -NRB1RB2, -C(=O)-RC, -C(=O)-ORD, -C(=O)-SRE, -C(=O)-NRB1RB2', -C(=S)-RC', -C(=S)-ORD', -C(=S)-SRE', -C(=S)-NRB1RB2, -C(=NR1a)-RC', -C(=NR1b)-ORD', -C(=NR1c)-SRE', -C(=NR1d)-NRB1RB2, -S(=O)-RF, -S(=O)2-RG, -S(=O)2-NRB1RB2', -P(=O)RH1RH2, -P(=S)RH1RH2, -B-C(=O)-RI, -B-O-C(=O)-RI, -B-S-C(=O)-RI, -B-N(RJ)-C(=O)-RK, -B-C(=S)-RK, -B-O-C(=S)-RK, -B-S-C(=S)-RK, -B-N(RJ)-C(=S)-RK, C1-C8-alkenyl, C1-C8-alkynyl, C3-C8-cycloalkyl, which is unsubstituted or may carry 1 to 4 substituents R1e, naphthyl, which is unsubstituted or may carry 1 to 4 substituents R1f, a saturated or partially unsaturated heterocycle, which is unsubstituted or may carry 1 to 4 substituents R1g, hetaryl, which is unsubstituted or may carry 1 to 4 substituents R1h, and C1-C6-alkyl, which carries a radical selected from the group consisting of -NR1iR1j, C1-C4-alkoxycarbonyl, C3-C8-cycloalkyl, aryl, aryloxy, arylthio, heterocyclyl, heterocyclyloxy and heterocyclylthio, R2, R3, R4, R5, R6 and R7 are each independently hydrogen, halogen, OH, SH, NH2, SO3H, COOH, cyano, nitro, C1-C6-alkyl, C1-C6-alkoxy, C1-C6-alkylamino etc.

  本发明涉及公式I的1-(咪唑啉-2-基)氨基-1,2-二苯乙烷化合物及其盐，用于防治动物害虫。本发明还涉及使用这些化合物控制动物害虫的方法，种子以及包含所述化合物的农业和兽医组合物，其中A是公式A.1或A.2的基团，其中#表示与公式I的其余化合物的键合，X从O、S和NRx中选择，R1从由-ORA、-NRB1RB2、-C（=O）-RC、-C（=O）-ORD、-C（=O）-SRE、-C（=O）-NRB1RB2'、-C（=S）-RC'、-C（=S）-ORD'、-C（=S）-SRE'、-C（=S）-NRB1RB2、-C（=NR1a）-RC'、-C（=NR1b）-ORD'、-C（=NR1c）-SRE'、-C（=NR1d）-NRB1RB2、-S（=O）-RF、-S（=O）2-RG、-S（=O）2-NRB1RB2'、-P（=O）RH1RH2、-P（=S）RH1RH2、-B-C（=O）-RI、-B-O-C（=O）-RI、-B-S-C（=O）-RI、-B-N（RJ）-C（=O）-RK、-B-C（=S）-RK、-B-O-C（=S）-RK、-B-S-C（=S）-RK、-B-N（RJ）-C（=S）-RK、C1-C8-烯丙基、C1-C8-炔基、C3-C8-环烷基，未取代或可携带1至4个取代基R1e，萘基，未取代或可携带1至4个取代基R1f，饱和或部分不饱和的杂环，未取代或可携带1至4个取代基R1g，杂芳基，未取代或可携带1至4个取代基R1h，以及C1-C6-烷基，携带从由-NR1iR1j、C1-C4-烷氧羰基、C3-C8-环烷基、芳基、芳氧基、芳硫基、杂环基、杂环氧基和杂环硫基选择的基团，R2、R3、R4、R5、R6和R7各自独立地为氢、卤素、OH、SH、NH2、SO3H、COOH、氰基、硝基、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷基氨基等。
• [EN] PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS<br/>[FR] COMPOSÉS PYRIDAZINE DESTINÉS À LA LUTTE CONTRE LES NUISIBLES INVERTÉBRÉS
  申请人：BASF SE

  公开号：WO2011003793A1

  公开（公告）日：2011-01-13

  The present invention relates to pyridazine compounds of formulae (I) or (II) and the salts and N-oxides thereof, wherein A is a substituted or unsubstituted isoxazole or isothiazole radical; V is C(Rv) or N; W is C(Rw) or N; with the proviso that either V or W is N; Rt, Ru, Rv, Rw are H, halogen, C1-C4-alkyl and the like; X1 is S, O or NR1a, wherein R1a is selected H, C1-C10-alkyl and the like; X2 is OR2a, NR2bR2c, S(O)mR2d, wherein m is 0, 1 or 2, R2a is C1-C4-alkyl, C1-C4-haloalkyl and the like, R2b, R2c are H, C1-C4-alkyl, C1-C4-haloalkyl and the like, or R2b and R2c together with the nitrogen atom to which they are bound form a heterocycle, and R2d is C1-C4-alkyl, C1-C4-haloalkyl, C3-C6-cycloalkyl and the like; and R1 is H, CN, C1-C10-alkyl and the like. The present invention further relates to a method for controlling invertebrate pests, to a method for protecting plant propagation material and/or the plants which grow there- from, to plant propagation material, comprising at least one compound according to the present invention, to a method for treating or protecting an animal from infestation or infection by parasites and to an agricultural composition containing at least one compound according to the present invention.

  本发明涉及式（I）或（II）的吡嗪化合物及其盐和N-氧化物，其中A是取代或未取代的异噁唑或异硫唑基团；V是C（Rv）或N；W是C（Rw）或N；但是V或W中的一个是N；Rt，Ru，Rv，Rw是H，卤素，C1-C4烷基等；X1是S，O或NR1a，其中R1a选自H，C1-C10烷基等；X2是OR2a，NR2bR2c，S（O）mR2d，其中m为0，1或2，R2a是C1-C4烷基，C1-C4卤代烷基等，R2b，R2c是H，C1-C4烷基，C1-C4卤代烷基等，或R2b和R2c与它们所连接的氮原子形成杂环，并且R2d是C1-C4烷基，C1-C4卤代烷基，C3-C6环烷基等；R1是H，CN，C1-C10烷基等。本发明还涉及一种控制无脊椎动物害虫的方法，一种保护植物繁殖材料和/或生长在那里的植物的方法，包括至少一种根据本发明的化合物的植物繁殖材料，一种用于治疗或保护动物免受寄生虫侵染或感染的方法以及一种包含至少一种根据本发明的化合物的农业组合物。
• Nitrile compound and its use in pest control
  申请人：Oohira Daisuke

  公开号：US20070112068A1

  公开（公告）日：2007-05-17

  The present invention provides a nitrile compound represented by the formula (I): wherein R represents C1-C4 fluoroalkyl, Q represents halogen, C1-C11 alkyl optionally substituted with halogen, C2-C6 alkenyl group optionally substituted with halogen, C2-C6 alkynyl optionally substituted with halogen, C3-C7 cycloalkyl optionally substituted with halogen or (C3-C7 cycloalkyl optionally substituted with halogen) C1-C4 alkyl, which has excellent control effect against pests.

  本发明提供一种由公式（I）表示的腈化合物：其中，R代表C1-C4氟烷基，Q代表卤素，C1-C11烷基可选地取代卤素，C2-C6烯基可选地取代卤素，C2-C6炔基可选地取代卤素，C3-C7环烷基可选地取代卤素或（C3-C7环烷基可选地取代卤素）C1-C4烷基，该化合物具有优异的对害虫的控制效果。
• Substituted 1-(Azolin-2-yl)-Amino-1,2-Heterocyclyl-Ethane Compounds For Combating Pests
  申请人：Kordes Markus

  公开号：US20100041700A1

  公开（公告）日：2010-02-18

  The present invention relates to 1-(Azolin-2-yl)-amino-1,2-heterocyclyl-ethane compounds, which are useful for combating insects, arachnids and nematodes. The present invention also relates to methods for combating animal pests and to compositions for combating animal pests. It has been found that animal pests can be combated by 1-(Azolin-2-yl)-amino-1,2-heterocyclyl-ethane compounds of the general formula (I): wherein A is a radical of the formulae A 1 or A 2 : and wherein X is sulfur, oxygen or NR 7 , and Het A , Het B and R 1 to R 7 are defined as in the description.

  本发明涉及1-(Azolin-2-yl)-amino-1,2-杂环基-乙烷化合物，其可用于防治昆虫、蜘蛛和线虫。本发明还涉及用于防治动物害虫的方法和用于防治动物害虫的组合物。发现可以通过通式(I)的1-(Azolin-2-yl)-amino-1,2-杂环基-乙烷化合物来防治动物害虫，其中A是式A1或A2的基团：X是硫、氧或NR7，而HetA、HetB和R1到R7如描述中所定义。
• 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests
  申请人：Kordes Markus

  公开号：US20100280078A1

  公开（公告）日：2010-11-04

  The present invention relates to 1-(azolin-2-yl)amino-1,2-diphenylethane compounds of the formula I and to their salts which are useful for combating animal pests. The invention also relates to a method for controlling animal pests by using these compounds, to seed and to an agricultural and veterinary composition comprising said compounds. wherein A is a radical of formulae A.1 or A.2 wherein # denotes the bond to the remaining compound of formula I, X is selected from O, S and NR X , R 1 is selected from the group consisting of —OR A , —NR B1 R B2 , C(═O)—R C , —C(═O)—OR D , —C(═O)—SR E , —C(═O)—NR B1 R B2 ′, —C(═S)—R C ′, —C(═S)—OR D ′, —C(═S)—SR E ′, —C(═S)—NR B1 R B2 , —C(═NR 1a )—R C ′, —C(═NR 1b )—OR D ′, —C(═NR 1c )—SR E ′, —C(═NR 1d )—NR B1 R B2 , —S(═O)—R F , —S(═O) 2 —R G , —S(═O) 2 —NR B1 R B2 ′, —P(═O)R H1 R H2 , —P(═S)R H1 R H2 , —B—C(═O)—R I , —B—O—C(═O)—R I , —B—S—C(═O)—R I , —B—N(R J )—C(═O)—R K , —B—C(═S)—R K , —B—O—C(═S)—R K , —B—S—C(═S)—R K , —B—N(R J )—C(═S)—R K , C 1 -C 8 -alkenyl, C 1 -C 8 -alkynyl, C 3 -C 8 -cycloalkyl, which is unsubstituted or may carry 1 to 4 substituents R 1e , naphthyl, which is unsubstituted or may carry 1 to 4 substituents R 1f , a saturated or partially unsaturated heterocycle, which is unsubstituted or may carry 1 to 4 substituents R 1g , hetaryl, which is unsubstituted or may carry 1 to 4 substituents R 1h , and C 1 -C 6 -alkyl, which carries a radical selected from the group consisting of —NR 1i R 1j , C 1 -C 4 -alkoxycarbonyl, C 3 -C 8 -cycloalkyl, aryl, aryloxy, arylthio, heterocyclyl, heterocyclyloxy and heterocyclylthio, R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are each independently hydrogen, halogen, OH, SH, NH 2 , SO 3 H, COOH, cyano, nitro, C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -alkylamino etc.

  本发明涉及公式I的1-(噁唑-2-基)氨基-1,2-二苯乙烷化合物及其盐，用于对抗动物害虫。本发明还涉及使用这些化合物控制动物害虫的方法，种子以及包括所述化合物的农业和兽医组合物。其中A是公式A.1或A.2的基团，#表示与公式I的其余化合物的键，X从O、S和NRX中选择，R1从—ORA、—NRB1RB2、C(═O)—RC、—C(═O)—ORD、—C(═O)—SRE、—C(═O)—NRB1RB2′、—C(═S)—RC′、—C(═S)—ORD′、—C(═S)—SRE′、—C(═S)—NRB1RB2、—C(═NR1a)—RC′、—C(═NR1b)—ORD′、—C(═NR1c)—SRE′、—C(═NR1d)—NRB1RB2、—S(═O)—RF、—S(═O)2—RG、—S(═O)2—NRB1RB2′、—P(═O)RH1RH2、—P(═S)RH1RH2、—B—C(═O)—RI、—B—O—C(═O)—RI、—B—S—C(═O)—RI、—B—N(RJ)—C(═O)—RK、—B—C(═S)—RK、—B—O—C(═S)—RK、—B—S—C(═S)—RK、—B—N(RJ)—C(═S)—RK、C1-C8-烯丙基、C1-C8-炔基、C3-C8-环烷基，未取代或可携带1至4个取代基R1e，萘基，未取代或可携带1至4个取代基R1f，饱和或部分不饱和的杂环，未取代或可携带1至4个取代基R1g，杂芳基，未取代或可携带1至4个取代基R1h，以及携带从—NR1iR1j、C1-C4-烷氧羰基、C3-C8-环烷基、芳基、芳氧基、芳硫基、杂环基、杂环氧基和杂环硫基中选择的基团的C1-C6-烷基，R2、R3、R4、R5、R6和R7各自独立地为氢、卤素、OH、SH、NH2、SO3H、COOH、氰基、硝基、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷基氨基等。