1-(4,5,4',5'-tetrahydro-[2,3']-bithiazolyl-2'-ylidene)amino-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-(3,5-dimethyl-phenyl)-ethane | 1097205-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(4,5,4',5'-tetrahydro-[2,3']-bithiazolyl-2'-ylidene)amino-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-(3,5-dimethyl-phenyl)-ethane
• 英文别名: 1-(4,5,4',5'-Tetrahydro-[2,3]-bithiazolyl-2'-ylidene)amino-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-(3,5-dimethyl-phenyl)-ethane；N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-(3,5-dimethylphenyl)ethyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-thiazolidin-2-imine
• CAS: 1097205-54-3
• 化学式: C₂₃H₂₃F₂N₃O₂S₂
• 分子量: 475.583
• InChiKey: VKKWIVQJKDQHPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  97
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-amino-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-(3,5-dimethylphenyl)-ethane 、 异硫氰酸氯代乙酯 在 sodium hydroxide 、 水 、 乙醚 、 Sodium sulfate-III 作用下， 以 乙醚 为溶剂， 反应 5.25h， 以to yield 0.1 g of the title compound的产率得到1-(4,5,4',5'-tetrahydro-[2,3']-bithiazolyl-2'-ylidene)amino-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-(3,5-dimethyl-phenyl)-ethane
  参考文献：
  名称：

  1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests

  摘要：

  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。

  公开号：

  US20100280078A1

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。
• 1-(azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests
  申请人：BASF SE

  公开号：US08211924B2

  公开（公告）日：2012-07-03

  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，种子以及包含上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选自O、S和NRX，R1选自—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、未取代或可携带1至4个R1e取代基的C3-C8-环烷基、未取代或可携带1至4个R1f取代基的萘基、未取代或可携带1至4个R1g取代基的饱和或部分不饱和的杂环、未取代或可携带1至4个R1h取代基的杂芳基以及携带从群组- 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，其中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。
• 1-(AZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS
  申请人：BASF SE

  公开号：EP2176232A1

  公开（公告）日：2010-04-21