1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3-carboxylic acid | 799765-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
• 英文别名: 1,1'-(methane-1,2-diyl)bis(5-methyl-1H-pyrazole-3-carboxylic acid)；bis(3-carboxy-5-methyl-1H-1-pyrazolyl)methane；1,1'-Methylenebis(5-methyl-pyrazole-3-carboxylic acid)；1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid
• CAS: 799765-00-7
• 化学式: C₁₁H₁₂N₄O₄
• 分子量: 264.241
• InChiKey: YQWXCIANDXPRHG-UHFFFAOYSA-N

物化性质

• 沸点：
  565.3±50.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3-carboxylic acid 、 三苯基氢氧化锡 以 甲苯 为溶剂， 反应 10.0h， 以67%的产率得到1-bis(5-methyl-2-H-3-triphenyltincarboxylatepyrazol)methane
  参考文献：
  名称：

  基于吡唑二羧酸衍生物的三苯基锡配合物的合成、表征、X 射线结构和体外抗真菌活性

  摘要：

  摘要 以联吡唑二甲酸和羟基三苯基锡为原料合成了一系列通式为(Ph3SnOOC-Pz)2R与Pz：吡唑和R：烷基或醚的新型二三苯基锡(IV)二羧酸配合物。这些复合物，记为 C1-C7，已通过 IR、1H 和 13C NMR 光谱表征。C3：1,3-双[（5-甲基-2-H-3-三苯基锡吡唑）]丙烷和C7：双[（2-甲基-2-H-3-三苯基锡吡唑）乙基]氧化物的分子结构已通过单晶 X 射线衍射证实。两种化合物均以单斜对称结晶：C3 在 P21 空间群中，a = 15.915(1) A, b = 10.0791(8) A, c = 13.823(1) A, α = 90°, β = 100.459(3)° , γ = 90°，C7 在 P21/n 空间群中，a = 15.0951(7) A, b = 8.9847(3) A, c = 34.244(1) A, α = 90°, β = 101.421(2)

  DOI：

  10.1016/j.molstruc.2020.129137
• 作为产物：
  描述：

  3-甲基吡唑-5-甲酸乙酯 在 potassium tert-butylate 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  基于吡唑二羧酸衍生物的三苯基锡配合物的合成、表征、X 射线结构和体外抗真菌活性

  摘要：

  摘要 以联吡唑二甲酸和羟基三苯基锡为原料合成了一系列通式为(Ph3SnOOC-Pz)2R与Pz：吡唑和R：烷基或醚的新型二三苯基锡(IV)二羧酸配合物。这些复合物，记为 C1-C7，已通过 IR、1H 和 13C NMR 光谱表征。C3：1,3-双[（5-甲基-2-H-3-三苯基锡吡唑）]丙烷和C7：双[（2-甲基-2-H-3-三苯基锡吡唑）乙基]氧化物的分子结构已通过单晶 X 射线衍射证实。两种化合物均以单斜对称结晶：C3 在 P21 空间群中，a = 15.915(1) A, b = 10.0791(8) A, c = 13.823(1) A, α = 90°, β = 100.459(3)° , γ = 90°，C7 在 P21/n 空间群中，a = 15.0951(7) A, b = 8.9847(3) A, c = 34.244(1) A, α = 90°, β = 101.421(2)

  DOI：

  10.1016/j.molstruc.2020.129137

文献信息

• NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR
  申请人：FUJIFILM CORPORATION

  公开号：US20160037034A1

  公开（公告）日：2016-02-04

  Provided are a near-infrared-ray-absorbing composition having strong near-infrared shielding properties when a cured film is produced, a near-infrared-ray cut filter, a manufacturing method therefor, a camera module, and a manufacturing method therefor. The near-infrared-ray-absorbing composition includes a copper complex obtained by reacting a compound (A) having at least two coordination sites with a copper component.

  提供了一种近红外光吸收组合物，当产生固化膜时具有强大的近红外屏蔽性能，以及一种近红外光切割滤光片、其制造方法、相机模块以及其制造方法。该近红外光吸收组合物包括通过将至少具有两个配位位点的化合物（A）与铜组分反应而获得的铜配合物。
• Synthesis and crystal structures of mononuclear CuII/CoII coordination complexes from pyrazole-dicarboxylate acid derivatives
  作者：Smaail Radi、Abderrahmane Yahyi、Abdelkader Ettouhami、Ambika Chaudhary Jha、N.N. Adarsh、Koen Robeyns、Yann Garcia

  DOI：10.1016/j.poly.2014.08.059

  日期：2015.1

  Three novel pyrazole-dicarboxylate acid derivatives namely 1-(carboxymethyl)-5-methyl-1H-pyrazole3-carboxylic acid [L1], 1-[(3-carboxy-5-methyl-1H-pyrazol-1-yl) methyl]-5-methyl-1H-pyrazole-3 -carboxylic acid [L2] and 1-[3-(3-carboxy-5-methyl-1H-pyrazol-1-y1) propy1]-5-methyl-1H-pyrazole-3carboxylic acid [L3] were synthesized and characterized by H-1 NMR and ESI-MS. The coordination/chelation and crystallization property of these organic molecules with Cu-II/Co-II/Zn-II were studied and single crystals were obtained with L1 and L3 on reaction with Cu(NO3)(2) and Co(NO3)(2), respectively. Single crystal X-ray diffraction experiments revealed that both resulted in mononuclear chelate complexes of formula [Cu(L1)(2)(H2O)center dot 2H(2)O (A) and [Co(L3)(H2O2] (B). A and B consist of 2D hydrogen bonded networks with and without lattice included water molecules, respectively. The crystal structure of the free derivative 1.2 is also presented. (C) 2014 Elsevier Ltd. All rights reserved.
• New N , N , O , O functionalized heteroscorpionate ligands and related Zn(II) and Cd(II) derivatives
  作者：Carlo Santini

  DOI：10.1016/j.inoche.2004.05.002

  日期：2004.7

  The new [(3-carboxy-5-methyl-1H-1-pyrazolyl) (3-methyl-5-carboxy-1H-1-pyrazolyl)methane], CH2(Pz(COOH,Me))(Pz(Me,COOH)), and bis(3-carboxy-5-methyl-1H-1-pyrazolyl)methane, CH2(Pz(COOH,Me))(2), ligands are prepared in CH2Cl2/H2O solution using the ethyl 3-methylpyrazole-5-carboxylate, an excess of Na2CO3, and benzyltriethylammonium chloride as the phase transfer catalyst. The CH2(Pz(COOH,Me))(2) ligand reacts with ZnAC(2) and CdCl2 in the presence of two equivalents of NaOH, to yield the M[CH2(Pz(COOH,Me))(2)].nH(2)O} (M = Zn(II), n = 2; M = Cd(II), n = 1) complexes. All compounds have been fully characterized by elemental analyses and FT-IR in the solid state and by NMR (H-1, (13), and Cd-113) spectroscopy and electrospray ionization mass spectrometry in solution. The complexes likely contain a five- or six-coordinate metal core in which the ligand is coordinated to the metal ions in the kappa(4)-NN',O,O'fashion. (C) 2004 Elsevier B.V. All rights reserved.
• NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR
  申请人：FUJIFILM Corporation

  公开号：US20160304730A1

  公开（公告）日：2016-10-20

  An object of the present invention is to provide a near infrared radiation-absorbing composition having favorable shielding properties in a near infrared range when used to produce cured films, a near infrared radiation cut-off filter and a production method therefor, and a camera module and a production method therefor. The near infrared radiation-absorbing composition including a copper complex formed by reacting a compound (A) having two or more coordinating atoms that form bonds using unshared electron pairs with a copper component.
• NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE
  申请人：FUJIFILM Corporation

  公开号：US20170227690A1

  公开（公告）日：2017-08-10

  Provided are a near infrared ray absorbent composition which can form a cured film having excellent near infrared ray shielding properties, a near infrared ray cut filter, a manufacturing method of a near infrared ray cut filter, a solid image pickup element, and a camera module. The near infrared ray absorbent composition includes a copper complex that is other than a copper phthalocyanine complex and has a maximum absorption wavelength in a wavelength range of 700 to 1,200 nm and in which a molar light absorption coefficient at the maximum absorption wavelength is greater than or equal to 100 (L/mol·cm).