5-(4-amino-2,5-dimethylphenoxy)-3-(4-chlorobenzyl)isothiazole-4-carbonitrile | 1239257-79-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(4-amino-2,5-dimethylphenoxy)-3-(4-chlorobenzyl)isothiazole-4-carbonitrile
• 英文别名: 5-(4-amino-2,5-dimethylphenoxy)-3-[(4-chlorophenyl)methyl]-1,2-thiazole-4-carbonitrile
• CAS: 1239257-79-4
• 化学式: C₁₉H₁₆ClN₃OS
• 分子量: 369.875
• InChiKey: BRAZDAQONBLXOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-amino-2,5-dimethylphenoxy)-3-(4-chlorobenzyl)isothiazole-4-carbonitrile 、 N-(dimethoxymethyl)-N-methylethanamine 以 甲苯 为溶剂， 反应 44.0h， 生成 N'-(4-{[3-(4-chlorobenzyl)-4-cyanoisothiazol-5-yl]oxy}-2,5-dimethylphenyl)-N-ethyl-N-methylimidoformamide
  参考文献：
  名称：

  Isothiazolyloxyphenylamidines and their use as fungicides

  摘要：

  本发明涉及一般式（I）的异噻唑氧基苯基脲类化合物，其制备方法，根据本发明使用上述脲类化合物来控制不良微生物的方法，以及包含本发明中的异噻唑氧基苯基脲类化合物的用于此目的的组合物。此外，本发明还涉及通过将本发明中的化合物应用于微生物和/或它们的栖息地来控制不良微生物的方法。

  公开号：

  US20110130282A1
• 作为产物：
  描述：

  3-amino-4-(4-chlorophenyl)-2-cyanobut-2-enthioamide 在 盐酸 、 双氧水 、 potassium carbonate 、 sodium nitrite 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 5-(4-amino-2,5-dimethylphenoxy)-3-(4-chlorobenzyl)isothiazole-4-carbonitrile
  参考文献：
  名称：

  Isothiazolyloxyphenylamidines and their use as fungicides

  摘要：

  本发明涉及通式（I）的异噻唑氧基苯基胺类化合物，其制备方法，根据本发明用于控制不良微生物的胺类化合物的使用，以及包含根据本发明的异噻唑氧基苯基胺类化合物的用途的组合物。此外，本发明还涉及通过将根据本发明的化合物应用于微生物和/或其栖息地来控制不良微生物的方法。

  公开号：

  US20110130282A1

文献信息

• A polymerizable phosphoric acid ester derivative and a dental composition employing it
  申请人：DENTSPLY DETREY GmbH

  公开号：EP1454911A1

  公开（公告）日：2004-09-08

  The present invention provides a polymerizable phosphoric acid ester derivative having the following formula (A):    wherein       Z is COOR1, COSR1, CON(R1)2, CONR1R2, CONHR1, or CN,       R1 and R2 independently are a hydrogen atom, a substituted or unsubstituted C1 to C18 alkyl group optionally substituted by a C3 to C8 cycloalkyl group, a substituted or unsubstituted C3 to C8 cycloalkyl group, a substituted or unsubstituted C4 to C18 aryl or heteroaryl group, a substituted or unsubstituted C5 to C18 alkylaryl or alkylheteroaryl group, or a substituted or unsubstituted C7 to C30 aralkyl group, whereby two R1 residues may form together with the N-atom to which they are bonded a 5- to 7-membered heterocyclic ring which may contain beside said N-atom a further nitrogen atom or an oxygen atom, and whereby the substituted groups may be substituted by 1 to 5 C1 to C5 alkyl group(s);       a is an integer of from 1 to 10, preferably 1 to 5;       b is an integer of from 1 to 10, preferably 1 to 5; and       R represents an organic residue containing a + b carbon atoms selected from primary and secondary aliphatic carbon atoms, secondary alicyclic carbon atoms, and aromatic carbon atoms, each of said carbon atoms linking a phosphate or 2-(oxa-ethyl)acryl derivative group.

  本发明提供了具有以下结构式（A）的可聚合磷酸酯衍生物：其中Z为COOR1、COSR1、CON(R1)2、CONR1R2、CONHR1或CN；R1和R2独立地为氢原子、经过取代或未经取代的C1至C18烷基，可选地经过C3至C8环烷基取代，经过取代或未经取代的C3至C8环烷基，经过取代或未经取代的C4至C18芳基或杂环芳基，经过取代或未经取代的C5至C18烷基芳基或烷基杂环芳基，或经过取代或未经取代的C7至C30芳基烷基，其中两个R1残基可以与它们结合的N原子一起形成一个5-至7-成员杂环，该杂环除了含有所述的N原子外，还可以含有另一个氮原子或一个氧原子，取代基可以经过1到5个C1至C5烷基的取代；a为1至10的整数，优选为1至5；b为1至10的整数，优选为1至5；R代表一个含有a + b个碳原子的有机残基，选择自主要和次要脂肪碳原子、次要脂环碳原子和芳香碳原子，其中每个碳原子连接一个磷酸酯或2-(氧乙基)丙烯酰衍生物基团。
• Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide
  申请人：VOLZ Frank

  公开号：US20120071663A1

  公开（公告）日：2012-03-22

  The present invention relates to various processes for the preparation of N′-(4-[3-(4-chloro-benzyl)-1,2,4-thiadiazol-5-yl]oxy}-2,5-dimethylphenyl)-N-ethyl-N-methylimidoformamide.

  本发明涉及各种制备N′-(4-[3-(4-氯苄基)-1,2,4-噻二唑-5-基氧基}-2,5-二甲基苯基)-N-乙基-N-甲基亚甲基甲酰胺的方法。
• Polymerizable phosphoric acid ester derivative and a dental composition employing it
  申请人：Klee E Joachim

  公开号：US20060246017A1

  公开（公告）日：2006-11-02

  The present invention provides a polymerizable phosphoric acid ester derivative having the following formula (A): wherein Z is COOR 1 , COSR 1 , CON(R 1 ) 2 , CONR 1 R 2 , or CONHR 1 , R 1 and R 2 independently are a hydrogen atom, a substituted or unsubstituted C 1 to C 18 alkyl group optionally substituted by a C 3 to C 8 cycloalkyl group, a substituted or unsubstituted C 3 to C 8 cycloalkyl group, a substituted or unsubstituted C 4 to C, 18 aryl or heteroaryl group, a substituted or unsubstituted C 5 to C 18 alkylaryl or alkylheteroaryl group, or a substituted or unsubstituted C 7 to C 30 aralkyl group, whereby two R 1 residues may form together with the N-atom to which they are bonded a 5- to 7-membered heterocyclic ring which may contain beside said N-atom a further nitrogen atom or an oxygen atom, and whereby the substituted groups may be substituted by 1 to 5 C 1 to C 5 alkyl group(s); a is an integer of from 1 to 10, preferably 1 to 5; b is an integer of from 1 to 10, preferably 1 to 5; and R represents an organic residue containing a+b carbon atoms selected from primary and secondary aliphatic carbon atoms, secondary alicyclic carbon atoms, and aromatic carbon atoms, each of said carbon atoms linking a phosphate or 2-(oxa-ethyl)acryl derivative group.

  本发明提供了一种具有以下式（A）的可聚合磷酸酯衍生物：其中Z为COOR1，COSR1，CON（R1）2，CONR1R2或CONHR1，R1和R2独立地为氢原子，被C3至C8环烷基取代或未取代的C1至C18烷基，被C4至C18芳基或杂芳基取代或未取代的C3至C8环烷基，被C5至C18烷基芳基或烷基杂芳基取代或未取代的C7至C30芳基烷基，其中两个R1残基可以与它们连接的N原子一起形成一个5至7元杂环，该杂环可以在除了所述N原子之外还包含另一个氮原子或氧原子，被取代的基团可以被1至5个C1至C5烷基基团取代；a是1至10的整数，优选为1至5；b是1至10的整数，优选为1至5；R表示一个含有a+b个碳原子的有机残基，所述碳原子选自于一级和二级脂肪碳原子、二级螺环碳原子和芳香碳原子，每个碳原子连接一个磷酸酯或2-（氧乙基）丙烯酰衍生物基团。
• One-Part Self-Etching, Self-Priming Dental Adhesive Composition
  申请人：Klee E. Joachim

  公开号：US20070293642A1

  公开（公告）日：2007-12-20

  One-part self-etching, self-priming dental adhesive composition having a pH of at most 2, which comprises (a) a polymerizable acidic phosphoric acid ester monomer (b) one or more polymerizable acidic monomers (c) a polymerizable N-substituted alkylacrylic or acrylic acid amide monomer; (d) optionally an organic and/or inorganic acid; (e) an organic water soluble solvent and/or water; and (f) polymerization initiator, inhibitor and stabilizer.

  具有pH值不超过2的一部分自酸蚀，自底漆牙科粘合剂组合物，包括（a）可聚合的酸性磷酸酯单体（b）一种或多种可聚合的酸性单体（c）可聚合的N-取代的烷基丙烯酸或丙烯酸酰胺单体；（d）可选的有机和/或无机酸；（e）有机水溶性溶剂和/或水；以及（f）聚合引发剂，抑制剂和稳定剂。
• ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES
  申请人：KUNZ Klaus

  公开号：US20120065061A1

  公开（公告）日：2012-03-15

  The present invention relates to isothiazolyloxyphenylamidines of the general formula (I), to a process for their preparation, to the use of the amidines according to the invention for controlling unwanted microorganisms, and also to a composition for this purpose which comprises the isothiazolyloxyphenylamidines according to the invention. Furthermore, the invention relates to a method for controlling unwanted microorganisms by applying the compounds according to the invention to the microorganisms and/or in their habitat.

  本发明涉及一般式(I)的异噻唑氧基苯基酰胺，其制备方法，根据本发明使用酰胺来控制不需要的微生物，以及用于此目的的包含本发明中的异噻唑氧基苯基酰胺的组合物。此外，本发明还涉及一种通过将本发明中的化合物应用于微生物和/或其栖息地来控制不需要的微生物的方法。