2-[5-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitrophenylamino]propan-1-ol | 137250-30-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[5-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitrophenylamino]propan-1-ol
• 英文别名: 2-[5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitroanilino]propan-1-ol
• CAS: 137250-30-7
• 化学式: C₁₄H₁₄BrF₃N₄O₄
• 分子量: 439.189
• InChiKey: ZANXXCVQBQIBGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  DL-氨基丙醇 、 1,2-二硝基苯 在 三乙胺 作用下， 以 4-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-dinitrobenzene 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[5-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-nitrophenylamino]propan-1-ol
  参考文献：
  名称：

  Herbicidal pyrazolyloxy and pyrazolylamino-benzotriazoles

  摘要：

  化学式（I）的除草化合物：##STR1## 其中虚线表示存在两个双键，排列成融合的杂环芳香环系统；Py是可选择取代的吡唑环；W是O或NR.sup.1；其中R.sup.1是氢或较低的烷基；X是（CH.sub.2).sub.n，CH.dbd.CH，CH(OR.sup.5)CH.sub.2，COCH.sub.2；其中n为0、1或2；R.sup.2和R.sup.3分别选自H、可选择取代的烷基、烯基或炔基、卤素、NR.sup.6 R.sup.7，或R.sup.2和R.sup.3与其连接的碳共同形成可选择取代的烯基或环烷基基团；R.sup.4是CO.sub.2 R.sup.8，CN，COR.sup.8，CH.sub.2 OR.sup.8，CH(OH)R.sup.8，CH(OR.sup.8)R.sup.9，CSNH.sub.2，COSR.sup.8，CSOR.sup.8，CONHSO.sub.2 R.sup.8，CONR.sup.10 R.sup.11，CONHNR.sup.10 R.sup.11，CONHN.sup.+ R.sup.10 R.sup.11 R.sup.12 R.sup.14-，CO.sub.2.sup.- R.sup.15+或COON.dbd.CR.sup.10 R.sup.11；R.sup.15+是农业可接受的阳离子，R.sup.14-是农业可接受的阴离子。R.sup.5、R.sup.8和R.sup.9分别选自H或可选择取代的烷基、芳基、烯基或炔基；R.sup.6、R.sup.7、R.sup.10、R.sup.11和R.sup.12分别选自H或可选择取代的烷基、烯基、芳基或炔基；或R.sup.6、R.sup.7、R.sup.10、R.sup.11和R.sup.12中的任意两个与其连接的原子共同形成环烷基或杂环状环。还描述了制备这些化合物和含有它们的组合物的方法。

  公开号：

  US05190574A1

文献信息

• Heterocyclic compounds
  申请人：ZENECA LIMITED

  公开号：EP0442654A2

  公开（公告）日：1991-08-21

  A herbicidal compound of formula (I): in which the dotted line indicates the presence of two double bonds arranged so as to form a fused hetro-aromatic ring system; Py is an optionally substituted pyrazole ring; W is O or NR¹; where R¹ is hydrogen or lower alkyl; X is (CH₂)n, CH=CH, CH(OR⁵)CH₂, COCH₂; where n is O, 1 or 2; R² and R³ are independently selected from H, optionally substituted alkyl, alkenyl or alkynyl, halogen, NR⁶R⁷, or R² and R³ together with the carbon to which they are attached form an optionally substituted alkenyl or cycloalkyl group; R⁴ is CO₂R⁸, CN, COR⁸, CH₂OR⁸, CH(OH)R⁸, CH(OR⁸)R⁹, CSNH₂, COSR⁸, CSOR⁸, CONHSO₂R⁸, CONR¹⁰R¹¹, CONHNR¹⁰R¹¹, CONHN⁺R¹⁰R¹¹R¹²R¹⁴⁻, CO₂⁻R¹⁵⁺ or COON=CR¹⁰R¹¹; R¹⁵⁺ is an agriculturally acceptable cation and R¹⁴⁻ is an agriculturally acceptable anion. R⁵, R⁸ and R⁹ are independently selected from H or an optionally substituted alkyl, aryl, alkenyl or alkynyl group; R⁶, R⁷, R¹⁰, R¹¹ and R¹² are independently selected from H or an optionally substituted alkyl, alkenyl, aryl or alkynyl group; or any two of R⁶, R⁷, R¹⁰, R¹¹ and R¹² together with the atom to which they are attached form a cycloalkyl or heterocyclic ring. Processes for the preparation of these compounds and compositions containing them are also described.

  式(I)的除草化合物： 其中 虚线表示存在两个双键，其排列方式形成一个融合的 hetro-aromatic 环系统； Py 是任选取代的吡唑环； W 是 O 或 NR¹；其中 R¹ 是氢或低级烷基； X 是 (CH₂)n、CH=CH、CH(OR⁵)CH₂、COCH₂； 其中 n 为 O、1 或 2； R² 和 R³ 独立选自 H、任选取代的烷基、烯基或炔基、卤素、NR⁶R⁷，或 R² 和 R³ 与它们所连接的碳一起形成任选取代的烯基或环烷基； R⁴是CO₂R⁸、CN、COR⁸、CH₂OR⁸、CH(OH)R⁸、CH(OR⁸)R⁹、CSNH₂、COSR⁸、CSOR⁸、CONHSO₂R⁸、CONR¹⁰R¹¹、CONHNR¹⁰R¹¹、CONHNSm_207A↩R¹⁰R¹¹⁴-、CO₂-R¹⁵⁺或COON=CR¹⁰R¹¹； R¹⁵⁺ 是农业上可接受的阳离子，R¹⁴- 是农业上可接受的阴离子。 R⁵、R⁸ 和 R𠞙 独立选自 H 或任选取代的烷基、芳基、烯基或炔基； R⁶、R⁷、R¹⁰、R¹¹和R¹²独立选自H或任选取代的烷基、烯基、芳基或炔基；或R⁶、R⁷、R¹⁰、R¹¹和R¹²中的任意两个与所连接的原子一起形成环烷基或杂环。 此外，还描述了这些化合物的制备过程以及含有这些化合物的组合物。
• US5190574A
  申请人：——

  公开号：US5190574A

  公开（公告）日：1993-03-02
• Herbicidal pyrazolyloxy and pyrazolylamino-benzotriazoles
  申请人：Imperial Chemical Industries plc

  公开号：US05190574A1

  公开（公告）日：1993-03-02

  A herbicidal compound of formula (I): ##STR1## in which the dotted line indicates the presence of two double bonds arranged so as to form a fused hetero-aromatic ring system; Py is an optionally substituted pyrazole ring; W is O or NR.sup.1 ; where R.sup.1 is hydrogen or lower alkyl; X is (CH.sub.2).sub.n, CH.dbd.CH, CH(OR.sup.5)CH.sub.2, COCH.sub.2 ; where n is 0, 1 or 2; R.sup.2 and R.sup.3 are independently selected from H, optionally substituted alkyl, alkenyl or alkynyl, halogen, NR.sup.6 R.sup.7, or R.sup.2 and R.sup.3 together with the carbon to which they are attached form an optionally substituted alkenyl or cycloalkyl group; R.sup.4 is CO.sub.2 R.sup.8, CN, COR.sup.8, CH.sub.2 OR.sup.8, CH(OH)R.sup.8, CH(OR.sup.8)R.sup.9, CSNH.sub.2, COSR.sup.8, CSOR.sup.8, CONHSO.sub.2 R.sup.8, CONR.sup.10 R.sup.11, CONHNR.sup.10 R.sup.11, CONHN.sup.+ R.sup.10 R.sup.11 R.sup.12 R.sup.14-, CO.sub.2.sup.- R.sup.15+ or COON.dbd.CR.sup.10 R.sup.11 ; R.sup.15+ is an agriculturally acceptable cation and R.sup.14- is an agriculturally acceptable anion. R.sup.5, R.sup.8 and R.sup.9 are independently selected from H or an optionally substituted alkyl, aryl, alkenyl or alkynyl group; R.sup.6, R.sup.7, R.sup.10, R.sup.11 and R.sup.12 are independently selected from H or an optionally substituted alkyl, alkenyl, aryl or alkynyl group; or any two of R.sup.6, R.sup.7, R.sup.10, R.sup.11 and R.sup.12 together with the atom to which they are attached form a cycloalkyl or heterocyclic ring. Processes for the preparation of these compounds and compositions containing them are also described.

  化学式（I）的除草化合物：##STR1## 其中虚线表示存在两个双键，排列成融合的杂环芳香环系统；Py是可选择取代的吡唑环；W是O或NR.sup.1；其中R.sup.1是氢或较低的烷基；X是（CH.sub.2).sub.n，CH.dbd.CH，CH(OR.sup.5)CH.sub.2，COCH.sub.2；其中n为0、1或2；R.sup.2和R.sup.3分别选自H、可选择取代的烷基、烯基或炔基、卤素、NR.sup.6 R.sup.7，或R.sup.2和R.sup.3与其连接的碳共同形成可选择取代的烯基或环烷基基团；R.sup.4是CO.sub.2 R.sup.8，CN，COR.sup.8，CH.sub.2 OR.sup.8，CH(OH)R.sup.8，CH(OR.sup.8)R.sup.9，CSNH.sub.2，COSR.sup.8，CSOR.sup.8，CONHSO.sub.2 R.sup.8，CONR.sup.10 R.sup.11，CONHNR.sup.10 R.sup.11，CONHN.sup.+ R.sup.10 R.sup.11 R.sup.12 R.sup.14-，CO.sub.2.sup.- R.sup.15+或COON.dbd.CR.sup.10 R.sup.11；R.sup.15+是农业可接受的阳离子，R.sup.14-是农业可接受的阴离子。R.sup.5、R.sup.8和R.sup.9分别选自H或可选择取代的烷基、芳基、烯基或炔基；R.sup.6、R.sup.7、R.sup.10、R.sup.11和R.sup.12分别选自H或可选择取代的烷基、烯基、芳基或炔基；或R.sup.6、R.sup.7、R.sup.10、R.sup.11和R.sup.12中的任意两个与其连接的原子共同形成环烷基或杂环状环。还描述了制备这些化合物和含有它们的组合物的方法。