4-(5-thioxo-1,4-dihydrotetrazol-1-yl)benzoic acid methyl ester | 121933-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-thioxo-1,4-dihydrotetrazol-1-yl)benzoic acid methyl ester
• 英文别名: methyl 4-(5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)benzoate；Methyl 4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)benzoate；methyl 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate
• CAS: 121933-87-7
• 化学式: C₉H₈N₄O₂S
• 分子量: 236.254
• InChiKey: KVHYNCJJNUFNBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  98.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-金刚烷醇 、 4-(5-thioxo-1,4-dihydrotetrazol-1-yl)benzoic acid methyl ester 在 硫酸 、 高氯酸 作用下， 以 水 为溶剂， 反应 3.0h， 以76%的产率得到3-(1-adamantyl)-5-(1-adamantylsulfanyl)-1-[4-(methoxycarbonyl)phenyl]tetrazolium perchlorate
  参考文献：
  名称：

  Adamantylazoles: XII. Alkylation of 1-R-tetrazole-5-thiones and 1-R-tetrazol-5-ones with tertiary alcohols in sulfuric acid

  摘要：

  1-R-Substituted tetrazole-5-thiones reacted with adamantan-1-ol in sulfuric acid to give mesoionic 1-R-3-(1-adamantyl)tetrazolium-5-thiolates, isomeric 1-R-5-(1-adamantylsulfanyl)tetrazoles, 1-R-4-(1-adamantyl) tetrazole-5-thiones, and 1-R-3-(1-adamantyl)-5-(1-adamantylsulfanyl)tetrazolium salts. Adamantylation of 1-R-tetrazol-5-ones under analogous conditions afforded only the corresponding mesoionic 1-R-3-(1-adamantyl)tetrazolium-5-olates. Mesoionic 1-R-3-tert-butyltetrazolium-5-thiolates and 1-R-3-tert-butyltetrazolium-5-olates were obtained by alkylation of the same substrates with tert-butyl alcohol in sulfuric acid.

  DOI：

  10.1134/s1070363209100235
• 作为产物：
  描述：

  甲醇 、 1-(4-羧苯基)-5-巯基-1H-四唑 在 盐酸 作用下， 反应 2.0h， 以55%的产率得到4-(5-thioxo-1,4-dihydrotetrazol-1-yl)benzoic acid methyl ester
  参考文献：
  名称：

  Adamantylazoles: XII. Alkylation of 1-R-tetrazole-5-thiones and 1-R-tetrazol-5-ones with tertiary alcohols in sulfuric acid

  摘要：

  1-R-Substituted tetrazole-5-thiones reacted with adamantan-1-ol in sulfuric acid to give mesoionic 1-R-3-(1-adamantyl)tetrazolium-5-thiolates, isomeric 1-R-5-(1-adamantylsulfanyl)tetrazoles, 1-R-4-(1-adamantyl) tetrazole-5-thiones, and 1-R-3-(1-adamantyl)-5-(1-adamantylsulfanyl)tetrazolium salts. Adamantylation of 1-R-tetrazol-5-ones under analogous conditions afforded only the corresponding mesoionic 1-R-3-(1-adamantyl)tetrazolium-5-olates. Mesoionic 1-R-3-tert-butyltetrazolium-5-thiolates and 1-R-3-tert-butyltetrazolium-5-olates were obtained by alkylation of the same substrates with tert-butyl alcohol in sulfuric acid.

  DOI：

  10.1134/s1070363209100235

文献信息

• A METHOD OF MANUFACTURING A CONDUCTIVE PATTERN
  申请人：AGFA-GEVAERT NV

  公开号：EP3725853A1

  公开（公告）日：2020-10-21

  A method of preparing a conductive silver pattern on a substrate comprising the step of: - applying a silver ink on the substrate to form a silver pattern, and - sintering the applied silver pattern, characterized in that the silver ink comprises a compound A which decomposes exothermally during sintering.

  一种在基底上制备导电银图案的方法，包括以下步骤 - 在基底上涂抹银墨以形成银图案，以及 - 烧结施加的银图案、 其特征在于，银墨包括一种在烧结过程中会放热分解的化合物 A。
• Metallic nanoparticle dispersion
  申请人：AGFA-GEVAERT

  公开号：US10676630B2

  公开（公告）日：2020-06-09

  A metallic nanoparticle dispersion includes metallic nanoparticles, a liquid carrier, and a dispersion-stabilizing compound according to Formulae I, II, III or IV, wherein Q represents the necessary atoms to form a substituted or unsubstituted a five or six membered heteroaromatic ring; M is selected from the group consisting of a proton, a monovalent cationic group and an acyl group; R1 and R2 are independently selected from the group consisting of a hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group, a substituted or unsubstituted alkaryl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl or heteroaryl group, a hydroxyl group, a thioether, an ether, an ester, an amide, an amine, a halogen, a ketone and an aldehyde, R1 and R2 may represent the necessary atoms to form a five to seven membered ring; R3 to R5 are independently selected from the group consisting of a hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group, a substituted or unsubstituted alkaryl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl or heteroaryl group, a hydroxyl group, a thiol, a thioether, a sulfone, a sulfoxide, an ether, an ester, an amide, an amine, a halogen, a ketone, an aldehyde, a nitrile and a nitro group; and R4 and R5 may represent the necessary atoms to form a five to seven membered ring.

  金属纳米颗粒分散液包括金属纳米颗粒、液体载体和符合式 I、II、III 或 IV 的分散稳定 化合物、 其中 Q 代表形成取代或未取代的五或六成员杂芳香环所需的原子；M 选自质子、一价阳离子基团和酰基组成的组；R1 和 R2 独立地选自氢、取代或未取代的烷基、取代或未取代的烯基、取代或 未取代的炔基、取代或未取代的烷芳基组成的组、取代或未取代的芳烷基、取代或未取代的芳基或杂芳基、羟基、硫醚、醚、酯、酰胺、胺、卤素、酮和醛；R3 至 R5 独立地选自氢、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的烷芳基组成的组、取代或未取代的芳烷基、取代或未取代的芳基或杂芳基、羟基、硫醇、硫醚、砜、亚砜、醚、酯、酰胺、胺、卤素、酮、醛、腈和硝基；R4 和 R5 可代表形成五至七分子环所需的原子。
• Inkjet ink set for preparing conductive layers or patterns
  申请人：AGFA-GEVAERT NV

  公开号：US10870773B2

  公开（公告）日：2020-12-22

  An inkjet ink set includes a silver inkjet ink and a flushing liquid, characterized in that the flushing liquid includes at least 25 wt % of 2-phenoxy ethanol based on the total weight of the flushing liquid.

  一种喷墨墨水组包括银喷墨墨水和冲洗液，其特征在于冲洗液包括至少 25 wt % 的 2-苯氧基乙醇（基于冲洗液的总重量）。
• Method of manufacturing a conductive pattern
  申请人：AGFA-GEVAERT NV

  公开号：US11236249B2

  公开（公告）日：2022-02-01

  A method of preparing a conductive pattern on a substrate includes the steps of applying a receiving layer on a substrate, applying a metallic nanoparticle dispersion on the white receiving layer thereby forming a metallic pattern, and sintering the metallic pattern, characterized in that the receiving layer has a roughness Rz between 1 and 75.

  一种在基底上制备导电图案的方法包括以下步骤：在基底上涂敷接收层；在白色接收层上涂敷金属纳米颗粒分散液，从而形成金属图案；烧结金属图案，其特征在于接收层的粗糙度 Rz 在 1 到 75 之间。
• A metallic nanoparticle dispersion
  申请人：AGFA-GEVAERT NV

  公开号：EP3037161B1

  公开（公告）日：2021-05-26