3,5-dimethyl-4-phenylaminocarbonyl-1H-pyrazole | 61747-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-dimethyl-4-phenylaminocarbonyl-1H-pyrazole
• 英文别名: 3,5-dimethyl-4-(N-phenylcarbamoyl)pyrazole；3,5-dimethyl-1H-pyrazole-4-carboxylic acid anilide；3,5-dimethyl-N-phenyl-4-pyrazolecarboxamide；3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
• CAS: 61747-76-0
• 化学式: C₁₂H₁₃N₃O
• 分子量: 215.255
• InChiKey: TWQARRJUQHFBRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二甲基异噁唑-4-甲酰氯 在 镍 一水合肼 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 3,5-dimethyl-4-phenylaminocarbonyl-1H-pyrazole
  参考文献：
  名称：

  异恶唑向吡唑的直接转化：更新和改进

  摘要：

  通过在环境温度下在氢化催化剂例如阮内镍的存在下用肼在甲醇中处理，将具有烷基或氨基甲酰基的异恶唑高产率地转化成相应的吡唑。为了合成N-取代的吡唑，需要将异恶唑氢解，然后用取代的肼处理。3（5）-芳基或酰基酰胺基取代的异恶唑不太适合这种转化。

  DOI：

  10.1016/j.tet.2007.09.046

文献信息

• Reactivity of α-acylated β-enamino ketones and esters: Synthesis of pyrazoles
  作者：Lauri J. Missio、Hugo S. Braibante、Mara E. F. Braibante

  DOI：10.1002/jhet.5570330441

  日期：1996.7

  The reactivity of the enamino compounds 4-amino-3-phenylamino(thio)carbonyl-3-penten-2-one 1 and 2 and ethyl 3-amino-2-phenylamino(thio)carbonyl-2-butyrate 7 and 8 was studied using the reaction with hydrazine hydrate and hydrazine hydrochloride to evaluate the 1,3 electrophilic center of the compounds by the formation of the pyrazole rings. The pyrazoles 3, 4, 5, 9, 11 and 13 were obtained depending

  研究了烯氨基化合物4-氨基-3-苯基氨基（硫代）羰基-3-戊烯-2-一1和2与3-氨基-2-苯基氨基（硫代）羰基-2-丁酸乙酯7和8的反应性。使用与水合肼和盐酸肼的反应通过吡唑环的形成来评估化合物的1,3亲电子中心。的吡唑3，4，5，9，11和13根据所用的反应条件下获得。
• Compounds and compositions
  申请人：——

  公开号：US04134987A1

  公开（公告）日：1979-01-16

  Fungicidal compositions comprising as an active ingredient a compound of the general formula I ##STR1## wherein either R.sup.1 or R.sup.2 is the group ##STR2## in which X is an oxygen atom or a sulphur atom and R.sup.5 is straight chain alkyl group of 1 to 8 carbon atoms, branched chain alkyl group of 1 to 8 carbon atoms, cyclic alkyl group of 3 to 8 carbon atoms, alkenyl group, alkynyl group, hydroxyalkyl group phenyl group or a mono-, di- or tri- substituted phenyl group with substituents, which may be the same or different, chosen from the group consisting hydrogen alkyl, alkenyl, alkynyl, hydroxyalkyl, alkoxy, phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N-alkylcarbamoyl and N,N-dialkylcarbamoyl; when R.sup.1 is the group ##STR3## then R.sup.3 is hydrogen, alkyl, alkenyl alkynyl, hydroxyalkyl, phenyl, CH.sub.2 CF.sub.3 or the group --CH.sub.2 COOR.sup.6 wherein R.sup.6 is alkyl, phenyl or substituted phenyl, and R.sup.2 and R.sup.4, which may be the same or different, are hydrogen, alkyl, alkenyl, alkynyl, hydroxalkyl, alkoxy, phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N,alkylcarbamoyl, N,N-dialkylcarbamoyl, hydroxy or mercapto provided that R.sup.2 and R.sup.4 are not both hydrogen, hydroxy or mercapto; when R.sup.2 is the group ##STR4## then R.sup.3 is hydrogen, alkyl, alkenyl, alkynyl, hydroxyalkyl, phenyl or substituted phenyl, and R.sup.1 and R.sup.4, which may be the same or different, are hydrogen, alkyl, alkenyl, hydroxyalkyl, alkoxy, phenyl, substituted phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl, hydroxy or mercapto, provided that R.sup.1 and R.sup.3 are not both hydrogen and provided that R.sup.1 and R.sup.4 are not both hydroxy or mercapto; and an inert carrier material therefor.

  杀真菌组合物包含一种以通式I表示的化合物作为活性成分： ##STR1## 其中R1或R2为以下基团之一： ##STR2## 其中X为氧原子或硫原子，R5为1至8个碳原子的直链烷基，1至8个碳原子的支链烷基，3至8个碳原子的环烷基，烯基，炔基，羟基烷基，苯基或单取代、双取代或三取代苯基，所述取代基在氢基、烷基、烯基、炔基、羟基烷基、烷氧基、苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基和N,N-二烷基氨基甲酰基中选择，且所述取代基可以相同或不同；当R1为以下基团之一： ##STR3## 则R3为氢、烷基、烯基、炔基、羟基烷基、苯基、CH2CF3或基团--CH2COOR6，其中R6为烷基、苯基或取代苯基，而R2和R4可以相同或不同，它们为氢、烷基、烯基、炔基、羟基烷基、烷氧基、苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基和N,N-二烷基氨基甲酰基，羟基或巯基，但R2和R4不能同时为氢、羟基或巯基；当R2为以下基团之一： ##STR4## 则R3为氢、烷基、烯基、炔基、羟基烷基、苯基或取代苯基，R1和R4可以相同或不同，它们为氢、烷基、烯基、羟基烷基、烷氧基、苯基、取代苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基、N,N-二烷基氨基甲酰基、羟基或巯基，但R1和R3不能同时为氢，且R1和R4不能同时为羟基或巯基；以及惰性载体材料。
• Blocked isocyanates
  申请人：THE BAXENDEN CHEMICAL COMPANY LIMITED

  公开号：EP0159117A1

  公开（公告）日：1985-10-23

  A blocked polyisocyanate of the formula R-Ym where R is an m valent aliphatic, cycloaliphatic, heterocyclic or aromatic residue; each Y, which may be the same or different, is where R1 is, or, when n is more than 1, each R1, which may be the same or different, is an alkyl, alkenyl, aralkyl, N-substituted carbamyl, phenyl, N02, halogen or -C-O-R2 group where R2 is a C1-C4 alkyl group; n is 0, 1, 2 or 3; and m is an integer greater than 1 is useful in paint compositions.

  式 R-Ym 的封端多异氰酸酯，其中 R 是 m 价脂族、环脂族、杂环族或芳香族残基；每个 Y（可以相同或不同）是 R1，或当 n 大于 1 时，每个 R1（可以相同或不同）是烷基、烯基、芳烷基、N-取代氨基甲酰基、苯基、N02、卤素或-C-O-R2 基团，其中 R2 是 C1-C4 烷基；n 是 0、1、2 或 3；m 是大于 1 的整数。
• Blocked polyisocyanate
  申请人：Bayer MaterialScience LLC

  公开号：EP1535939A1

  公开（公告）日：2005-06-01

  The present invention is directed to a blocked polyisocyanate based on nonane triisocyanate. More particularly, the invention is directed to a blocked polyisocyanate useful in solvent borne coating compositions and comprising the reaction product of: a) nonane triisocyanate; b) a pyrazole blocking agent; and c) a diol or polyol.

  本发明涉及一种基于壬烷三异氰酸酯的封端多异氰酸酯。更具体地说，本发明涉及一种用于溶剂型涂料组合物的封端多异氰酸酯，它包括以下物质的反应产物：a) 三异氰酸壬酯；b) 吡唑封端剂；c) 二元醇或多元醇。
• METHOD FOR PRODUCING CATIONIC ELECTRODEPOSITION COATING COMPOSITION
  申请人：KANSAI PAINT CO., LTD.

  公开号：EP3415574A1

  公开（公告）日：2018-12-19

  An object of the present invention is to find a method for producing a cationic electrodeposition coating composition that is excellent in storage stability, low-temperature curability, finished appearance, and corrosion resistance, and to provide a coated article excellent in these properties. The method for producing a cationic electrodeposition coating composition comprises mixing three components, i.e., an aqueous dispersion of an amino group-containing epoxy resin (A), an aqueous dispersion of a blocked polyisocyanate compound (B), and a pigment dispersion paste (C), wherein the aqueous dispersion of a blocked polyisocyanate compound (B) comprises a blocked polyisocyanate compound (b) and an emulsifier.

  本发明的目的是找到一种生产阳离子电沉积涂层组合物的方法，该组合物具有优异的储存稳定性、低温固化性、成品外观和耐腐蚀性，并提供具有这些优异性能的涂层制品。 阳离子电沉积涂料组合物的生产方法包括混合三种组分，即含氨基环氧树脂的水性分散体（A）、封端多异氰酸酯化合物的水性分散体（B）和颜料分散浆（C），其中封端多异氰酸酯化合物的水性分散体（B）包括封端多异氰酸酯化合物（b）和乳化剂。