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5,5,5-Trichlor-pentylmercaptan | 60303-21-1

中文名称
——
中文别名
——
英文名称
5,5,5-Trichlor-pentylmercaptan
英文别名
5,5,5-trichloro-pentane-1-thiol;5,5,5-Trichlor-pentan-1-thiol;5,5,5-Trichloropentane-1-thiol
5,5,5-Trichlor-pentylmercaptan化学式
CAS
60303-21-1
化学式
C5H9Cl3S
mdl
——
分子量
207.551
InChiKey
CPGJESBADKVIEU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.4
  • 重原子数:
    9
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    1
  • 氢给体数:
    1
  • 氢受体数:
    1

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • [EN] PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS<br/>[FR] COMPOSÉS PYRROLIN-2-YLAMINO DESTINÉS À COMBATTRE LES ANIMAUX NUISIBLES
    申请人:BASF SE
    公开号:WO2010029069A1
    公开(公告)日:2010-03-18
    The present invention relates to pyrrolin-2-ylamino compounds for combating animal pests. The invention also relates to a method for controlling animal pests by using these compounds, to plant propagation material and to an agricultural composition comprising said compounds. The invention also relates to a method for treating or protecting an animal from infestation or infection by parasites by using said compounds. Formula (I) wherein n is 0, 1, 2, 3, 4 or 5; m is 0, 1, 2, 3, 4 or 5; R1, R2 are each independently selected from the group consisting of: halogen, CN, N3, NO2, C1-C6-alkyl, C2-C6-alkenyl and C2-C6-alkynyl, where the last 3 radicals mentioned may be partly or completely halogenated and/or may carry any combination of 1, 2 or 3 radicals R#, etc.; R3 and R4 are selected each independently of one another from hydrogen, halogen, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, wherein the last 3 radicals mentioned may be partly or completely halogenated and/or may carry any combination of 1, 2 or 3 radicals selected independently of one another from the group consisting of CN, NO2, -ORb, NRcRd, -SRe, -C(=O)Ra and -C(=O)ORb, etc.; A is a radical of the formulae A.1 or A.2, wherein * indicates the point of attachment to the remaining part of the compound; R5a, R5b, R5c, R5d, R5e and R5f are selected independently from one another from hydrogen, halogen, C1-C6-alkyl, C1-C6-alkoxy, C1-C6-alkylamino, di(C1-C6-alkyl)amino, C3-C6- cycloalkyl and Ar2, etc.; R6 and R7 are selected each independently from one another from hydrogen, CN, NO2, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, saturated or partially unsaturated 5-, 6- or 7-membered heterocyclic radicals, Ar3, etc.
    本发明涉及用于对抗动物害虫的吡咯啉-2-基氨基化合物。该发明还涉及一种通过使用这些化合物来控制动物害虫的方法,以及包括所述化合物的植物繁殖材料和农业组合物。该发明还涉及一种通过使用这些化合物来治疗或保护动物免受寄生虫感染的方法。其中,公式(I)中n为0、1、2、3、4或5;m为0、1、2、3、4或5;R1、R2分别独立选择自卤素、CN、N3、NO2、C1-C6-烷基、C2-C6-烯基和C2-C6-炔基等的基团;R3和R4各自独立选择自氢、卤素、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基等的基团,其中最后提到的3个基团可能部分或完全卤代,和/或可能携带任意组合的1、2或3个基团R#等;A是公式A.1或A.2的基团,其中*表示与化合物其余部分的连接点;R5a、R5b、R5c、R5d、R5e和R5f各自独立选择自氢、卤素、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷基氨基、双(C1-C6-烷基)氨基、C3-C6-环烷基和Ar2等的基团;R6和R7各自独立选择自氢、CN、NO2、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、C3-C8-环烷基、饱和或部分不饱和的5、6或7-成员杂环基团、Ar3等的基团。
  • [EN] AZOLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS<br/>[FR] COMPOSÉS AZOLIN-2-YLAMINO POUR LUTTER CONTRE DES ANIMAUX NUISIBLES
    申请人:BASF SE
    公开号:WO2009115491A1
    公开(公告)日:2009-09-24
    The present invention relates to azolin-2-ylamino compounds of formulae (I) and (II), wherein n is 0 to 3; Ar is phenyl; A is a radical of formulae A1 or A2, wherein * indicates the point of attachment; X is S, O or N(R10); R7a-d are H, halogen, C1-C6-alkyl, C1-C6-alkoxy, C1-C6-alkylamino or C3-C6-cycloalkyl; R8-10 are H, CN, NO2, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, Ar3, -B-C(=O)Ra, -B-C(=S)Ra, -B-C(=NRf)Ra, etc., wherein B is a single bond or C1-C4-alkanediyl; R1 is H, halogen, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C6-cycloalkyl, phenyl or benzyl; R2,3 are H, halogen, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C6-cycloalkyl, phenyl or benzyl; R4 is H, halogen, CN, N3, NO2, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, a heterocycle, Ar5, -C(=O)Ra, -C(=S)Ra, -C(=NRf)Ra, etc.; or R4 and R5 together form a carbocycle or heterocycle; R5,6 are H, halogen, CN, N3, NO2, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, heterocycle, Ar8, -C(=O)Ra, -C(=S)Ra, -C(=NRf)Ra, etc.; or R5 and R6 together form a carbocycle or heterocycle; Ra-h are H, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, heterocycles or Ar10; Ar1 to 11 are phenyl, naphthyl or heteroaryl; and A' is a radical of formula A3, wherein W is halogen or OR11; R11 is H or -C(=O)-Ri; Ri is H, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl, heterocycle or Ar12; and Ar12 is phenyl, naphthyl or heteroaryl; as well as to agricultural composition containing such compounds, the use of such compounds for controlling animal pests, seed, comprising such compounds, a method for controlling animal pests and a method for treating or protecting an animal from infestation or infection by parasites.
    本发明涉及式(I)和(II)的噻唑啉-2-基氨基化合物,其中n为0至3;Ar为苯基;A为式A1或A2的基团,其中*表示连接点;X为S、O或N(R10);R7a-d为H、卤素、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷基氨基或C3-C6环烷基;R8-10为H、CN、NO2、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、C3-C8环烷基、Ar3、-B-C(=O)Ra、-B-C(=S)Ra、-B-C(=NRf)Ra等,其中B为单键或C1-C4烷二基;R1为H、卤素、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C6环烷基、苯基或苄基;R2,3为H、卤素、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C6环烷基、苯基或苄基;R4为H、卤素、CN、N3、NO2、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C8环烷基、杂环、Ar5、-C(=O)Ra、-C(=S)Ra、-C(=NRf)Ra等;或R4和R5一起形成碳环或杂环;R5,6为H、卤素、CN、N3、NO2、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C8环烷基、杂环、Ar8、-C(=O)Ra、-C(=S)Ra、-C(=NRf)Ra等;或R5和R6一起形成碳环或杂环;Ra-h为H、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C8环烷基、杂环或Ar10;Ar1至11为苯基、萘基或杂环基;A'为式A3的基团,其中W为卤素或OR11;R11为H或-C(=O)-Ri;Ri为H、C1-C6烷基、C2-C6-烯基、C2-C6-炔基、C3-C8环烷基、杂环或Ar12;Ar12为苯基、萘基或杂环基;以及含有这种化合物的农业组合物,使用这种化合物控制动物害虫的方法,包括这种化合物的种子,控制动物害虫的方法以及治疗或保护动物免受寄生虫感染的方法。
  • [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] AZOLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS<br/>[FR] COMPOSÉS AZOLIN-2-YLAMINO POUR COMBATTRE LES PARASITES ANIMAUX
    申请人:BASF SE
    公开号:WO2010007060A1
    公开(公告)日:2010-01-21
    The present invention relates to azolin-2-ylamino compounds of formula (I), wherein A is a radical of the formulae (A.1) or (A.2), wherein * denotes the binding site and wherein the indices and variables are as defined in the description. The present invention relates as well as to the precursor compounds thereof, which are both useful for combating animal pests selected from insects, arachnids and nematodes. The invention also relates to methods for controlling and/or combating such animal pests by using these compounds, to methods of protecting crops and plant propargation material, and further also to seeds and agricultural and veterinary composition comprising said compounds.
    本发明涉及式(I)的咪唑啉-2-基氨基化合物,其中A是式(A.1)或(A.2)的基团,其中*表示结合位点,指数和变量如描述中所定义。本发明还涉及其前体化合物,它们都可用于对选自昆虫、蜘蛛和线虫的动物害虫进行防治。本发明还涉及使用这些化合物控制和/或防治此类动物害虫的方法,以及保护作物和植物繁殖材料的方法,还涉及包含所述化合物的种子和农业和兽医组合物。
  • 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。
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