4-(2,4-二氯苯甲酰基)-1,3-二甲基-5-羟基吡唑 | 58010-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2,4-二氯苯甲酰基)-1,3-二甲基-5-羟基吡唑
• 英文名称: 4-(2,4-dichlorobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one
• 英文别名: 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-5-hydroxypyrazole；(2,4-dichlorophenyl)(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methanone；destosyl pyrazolate；DTP；1,3-dimethyl-4-(2,4-dichlorobenzoyl)-5-hydroxypyrazole；pyrazolate
• CAS: 58010-98-3
• 化学式: C₁₂H₁₀Cl₂N₂O₂
• 分子量: 285.13
• InChiKey: XMSHRLOQLUNKSN-UHFFFAOYSA-N

物化性质

• 沸点：
  395.8±42.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.97
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

安全信息

• 危险等级：
  5.1
• 包装等级：
  III
• 危险类别：
  5.1
• 危险品运输编号：
  UN 1479

反应信息

• 作为反应物：
  描述：

  4-(2,4-二氯苯甲酰基)-1,3-二甲基-5-羟基吡唑 在 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 生成 (2,4-dichlorophenyl)(5-(4-isopropylphenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone
  参考文献：
  名称：

  The Synthesis and Biological Activities of [5-(4-Substituted Phenylsulfinyl/Sulfonyl)-1,3-Dimethyl-1H-Pyrazol-4-Yl]-Arylmethanones

  摘要：

  A novel series of pyrazole derivatives containing substituted phenylsulfinyl/sulfonyl group have been synthesized via the oxidation of intermediate pyrazole sulfoether with H2O2 in acetic acid. The novel compounds were characterized by melting point, H-1 NMR, FT-IR, MS, and elemental analysis or HRMS. The biological activity results showed that most of the title compounds exhibit significant fungicidal activities against Alternaria solani Sorauer, Phytophthora capsici, and Corynespora cassiicola. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional text and figures.]

  DOI：

  10.1080/10426507.2013.829832
• 作为产物：
  描述：

  1,3-二甲基-5-吡唑酮 在 三甲基氰硅烷 、 2-氯-1-甲基吡啶碘化物 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 4-(2,4-二氯苯甲酰基)-1,3-二甲基-5-羟基吡唑
  参考文献：
  名称：

  CN115557895

  摘要：

  公开号：
• 作为试剂：
  描述：

  1,2:4,5-dicyclohexylidene-myo-inositol 在 吡啶 、 4-(2,4-二氯苯甲酰基)-1,3-二甲基-5-羟基吡唑 、 PI-PLC 、 三甲基溴硅烷 、 三氟化硼乙醚 、 四丁基氟化铵 、 碘 、 三乙胺 、 2-巯基乙醇 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成 (+/-)-myo-Inosit-1,4-bis-dihydrogenphosphat
  参考文献：
  名称：

  A thiophosphate analog of dimyristoylphosphatidyl-inositol-4-phosphate is a substrate for mammalian phosphoinositide-specific phospholipase c

  摘要：

  1,2-Dimyristoyloxypropane-3-thiophosphate(rac-1-myo-inositol-4-phosphate), a thiophosphate analog of dimyristoyl phosphatidylinositol-4-phosphate was synthesized as a substrate for mammalian phosphoinositide-specific phospholipase C. Its activity with Delta(1-132)-PI-PLC-delta(1) (a deletion mutant with the N-terminal pleckstrin homology domain removed) was studied in sonicated dispersions, with and without added Triton X-100. It had an initial activity of about 30 mu mol min(-1) mg(-1), which rapidly decreased due to substrate depletion in the vesicle or micelle. The slower rate of hydrolysis appeared limited by enzyme hopping or exchange of substrate between vesicles or micelles, which was more rapid in the presence of detergent. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00174-7

文献信息

• Process for producing 4-benzoylpyrazoles
  申请人：Ishihara Sangyo Kaisha Ltd.

  公开号：US04383116A1

  公开（公告）日：1983-05-10

  4-Benzoyl-5-hydroxypyrazoles useful as herbicidal active ingredients or their intermediate are produced by a condensation of a pyrazolone and a benzotrichloride followed by a hydrolysis reaction with industrial advantages.

  4-苯甲酰基-5-羟基吡唑酮作为除草剂活性成分或它们的中间体，通过吡唑酮和苯三氯甲烷的缩合反应，然后进行水解反应来生产，具有工业优势。
• Herbicidal compositions
  申请人：Sankyo Company Limited

  公开号：US04063925A1

  公开（公告）日：1977-12-20

  Herbicidal compositions containing as an active ingredient one or more of the pyrazole compounds having the formula ##STR1## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, X represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group or an aliphatic acyl group and n is an integer of 1 to 4 and when n is 2, 3 or 4, X's may be the same or different), salts thereof and organic acid esters thereof, as well as new pyrazole compounds having herbicidal activities and the formula ##STR2## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group Z represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group, an aliphatic acyl group or benzoyl group, n is an integer of 1 to 4, when n is 2,3 or 4, Z's may be the same or different and Y represents oxygen atom or sulfur atom; provided that those wherein R.sub.1 and R.sub.2 are methyl groups, Z is chlorine atom at 2-position, n is 1 and Y is oxygen atom and wherein R.sub.1 and R.sub.2 are methyl groups, Z is nitro group at 4-position, n is 1 and Y is oxygen atom are excluded. These pyrazole compounds are prepared in a conventional manner.

  含有一种或多种具有以下结构式的吡唑烷化合物的除草剂组合物：（其中R.sub.1代表氢原子或较低的烷基基团，R.sub.2代表较低的烷基基团或较低的烯基基团，X代表卤素原子、硝基基团、较低的烷基基团、卤代较低的烷基基团、较低的烷氧基团、较低的烷烷磺基团、氰基、较低的烷硫基团或脂肪族酰基，n为1至4的整数，当n为2、3或4时，X可能相同或不同），以及它们的盐和有机酸酯，以及具有除草活性的新的吡唑烷化合物和结构式：（其中R.sub.1代表氢原子或较低的烷基基团，R.sub.2代表较低的烷基基团或较低的烯基基团，Z代表卤素原子、硝基基团、较低的烷基基团、卤代较低的烷基基团、较低的烷氧基团、较低的烷磺基团、氰基、较低的烷硫基团、脂肪族酰基或苯甲酰基，n为1至4的整数，当n为2、3或4时，Z可能相同或不同，Y代表氧原子或硫原子；但是其中R.sub.1和R.sub.2为甲基基团，Z为2-位置的氯原子，n为1且Y为氧原子以及其中R.sub.1和R.sub.2为甲基基团，Z为4-位置的硝基基团，n为1且Y为氧原子的情况除外。这些吡唑烷化合物是以传统方法制备的。
• Process for the preparation of 4-benzoylpyrazole derivatives
  申请人：Sankyo Company Limited

  公开号：US04070536A1

  公开（公告）日：1978-01-24

  4-Benzoyl-5-hydroxypyrazole derivatives are prepared by treating 5-benzoyloxypyrazole derivatives with more than 1 equivalent mole of alkaline substance or more than 1 mole of aluminum chloride per mole of the 5-benzoyloxypyrazole derivatives. The desired pyrazole derivatives are useful as a herbicide.

  4-苯甲酰基-5-羟基吡唑衍生物是通过用超过1当量摩尔的碱性物质或每个5-苯甲酰氧基吡唑衍生物的摩尔数超过1摩尔的氯化铝处理5-苯甲酰氧基吡唑衍生物制备的。所得的吡唑衍生物可用作除草剂。
• Pyrazolyl acrylates and herbicidal use
  申请人：Nihon Tokushu Noyaku Seizo K.K.

  公开号：US04431441A1

  公开（公告）日：1984-02-14

  Pyrazole derivatives of the formula ##STR1## in which X each independently is a halogen atom, and R is a halogen atom or an aryl group optionally substituted by halogen or C.sub.1 to C.sub.6 alkyl, which possess herbicidal activity.

  该式的吡唑衍生物##STR1##中，X分别独立地是卤素原子，R是卤素原子或芳基基团，可选择地被卤素或C.sub.1至C.sub.6烷基取代，具有除草活性。
• Herbicidal 5-aminoalkoxy-4-benzoyl-1,3-dimethyl-pyrazole derivatives
  申请人：Sankyo Company, Limited

  公开号：US04460597A1

  公开（公告）日：1984-07-17

  Pyrazole derivatives of formula (I): ##STR1## (R.sup.1 is methyl, halogen or nitro; n is 2 or 3; R.sup.2 is hydrogen, C.sub.1-4 alkyl, C.sub.3-4 alkenyl or aralkyl; R.sup.3 is C.sub.1-4 alkyl, C.sub.3-4 alkenyl or phenyl; A is C.sub.1-5 alkylene) are of use as herbicides.

  公式（I）的吡唑衍生物：##STR1##（其中R.sup.1是甲基，卤素或硝基；n为2或3；R.sup.2是氢，C.sub.1-4烷基，C.sub.3-4烯基或芳基甲基；R.sup.3是C.sub.1-4烷基，C.sub.3-4烯基或苯基；A是C.sub.1-5烷基）可用作除草剂。