dimethyl 3-methylthiophene-2,4-dicarboxylate | 174148-78-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: dimethyl 3-methylthiophene-2,4-dicarboxylate
• 英文别名: 3-Methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
• CAS: 174148-78-8
• 化学式: C₉H₁₀O₄S
• 分子量: 214.242
• InChiKey: RSYMPAMELGIPOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 3-methylthiophene-2,4-dicarboxylate 在 吡啶 、 三溴化磷 、 二异丁基氢化铝 、 硫脲 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 、 氯仿 为溶剂， 反应 10.0h， 生成 16,17-dimethyl-3,6,10-trithiatricyclo[10.3.1.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene
  参考文献：
  名称：

  显着芳香硫杂 [13] 环烯的合成及相对介变性

  摘要：

  合成了 2,4-双（溴甲基）-3-甲基噻吩作为中间体来制备应变的噻吩并苯并苯二烯 11，它很容易热价异构化为新型硫杂 [13] 环烯 10。这种硫杂环烯具有显着的介电性并显示出约 40母体桥接 [14] 环烯 9 的环电流的百分比，其显着大于类似的氧杂环烯 18，并且显着小于氮杂环烯 19。

  DOI：

  10.1021/ja953025k
• 作为产物：
  描述：

  5-氨基-3-甲基噻吩-2,4-二甲酸二甲酯 在 硫酸 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以77%的产率得到dimethyl 3-methylthiophene-2,4-dicarboxylate
  参考文献：
  名称：

  显着芳香硫杂 [13] 环烯的合成及相对介变性

  摘要：

  合成了 2,4-双（溴甲基）-3-甲基噻吩作为中间体来制备应变的噻吩并苯并苯二烯 11，它很容易热价异构化为新型硫杂 [13] 环烯 10。这种硫杂环烯具有显着的介电性并显示出约 40母体桥接 [14] 环烯 9 的环电流的百分比，其显着大于类似的氧杂环烯 18，并且显着小于氮杂环烯 19。

  DOI：

  10.1021/ja953025k

文献信息

• [EN] SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS<br/>[FR] COMPOSÉS SYMÉTRIQUES OU SEMI-SYMÉTRIQUES UTILES COMME IMMUNOMODULATEURS
  申请人：ARISING INT LLC

  公开号：WO2018026971A1

  公开（公告）日：2018-02-08

  A compound having Formula I:(I), or a pharmaceutical acceptable salt thereof. A is a bivalent arene or a bivalent heteroarene; Ring B and Ring B' are independently a 6-membered aromatic hydrocarbon ring, a 6-membered heterocyclic ring, a 8- to 10-membered aromatic hydrocarbon ring, or a 8- to 10-membered heterocyclic ring; Y and Y' are independently, null (direct bond), -CHR1-, -CH2-CH2-, -NR1-, -0-, -OCH2-, -CH2O-, -SCH2-, -CH2S-, -SOCH2-, -CH2SO-, or -SO2CH2-, and R1 is H, C1-6 alkyl, or C3-6 cycloalkyl.

  具有Formula I:(I)的化合物，或其药用可接受的盐。A是二价芳烃或二价杂芳烃；环B和环B'分别是6-成员芳香碳氢环，6-成员杂环，8-到10-成员芳香碳氢环，或8-到10-成员杂环；Y和Y'分别是null（直接键），-CHR1-，-CH2-CH2-，-NR1-，-0-，-OCH2-，-CH2O-，-SCH2-，-CH2S-，-SOCH2-，-CH2SO-，或-SO2CH2-，而R1是H，C1-6烷基或C3-6环烷基。
• Thiophene azo dyes and laundry care compositions containing the same
  申请人：The Procter & Gamble Company

  公开号：US10435651B2

  公开（公告）日：2019-10-08

  This application relates to thiophene azo dyes for use as hueing agents, laundry care compositions comprising such thiophene azo dyes, processes for making such thiophene azo dyes, and laundry care compositions and methods of using the same. The thiophene azo dyes contain a formally charged moiety and are generally comprised of at least two components: at least one chromophore component and at least one polymeric component. Suitable chromophore components generally fluoresce blue, red, violet, or purple color when exposed to ultraviolet light, or they may absorb light to reflect these same shades. These thiophene azo dyes are advantageous in providing a hueing effect, for example, a whitening effect to fabrics, while not building up over time and causing undesirable blue discoloration to the treated fabrics. The thiophene azo dyes are also generally stable to bleaching agents used in laundry care compositions.

  本申请涉及用作着色剂的噻吩偶氮染料、含有此类噻吩偶氮染料的衣物护理组合物、制造此类噻吩偶氮染料的工艺以及衣物护理组合物和使用方法。噻吩偶氮染料含有正式带电分子，通常由至少两种成分组成：至少一种发色团成分和至少一种聚合物成分。合适的发色团成分在紫外线照射下一般会发出蓝色、红色、紫色或紫罗兰色的荧光，也可以吸收光来反射这些相同的色调。这些噻吩偶氮染料在提供色调效果（例如，织物的增白效果）方面具有优势，同时不会随着时间的推移而积累，导致处理过的织物出现不希望看到的蓝色褪色。噻吩偶氮染料对洗衣护理组合物中使用的漂白剂通常也很稳定。
• SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS
  申请人：Arising International, Inc.

  公开号：EP3493804A1

  公开（公告）日：2019-06-12
• AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS
  申请人：HALEY BOYD E.

  公开号：US20110237776A1

  公开（公告）日：2011-09-29

  Compounds useful as nutritional supplements, antioxidants, heavy metal chelators and/or as intermediates for producing other related compounds with like uses have a formula: where R 1 is an aromatic backbone and R 2 is a sulfur containing ligand.
• THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME
  申请人：The Procter & Gamble Company

  公开号：US20180066215A1

  公开（公告）日：2018-03-08

  This application relates to thiophene azo dyes for use as hueing agents, laundry care compositions comprising such thiophene azo dyes, processes for making such thiophene azo dyes, and laundry care compositions and methods of using the same. The thiophene azo dyes contain a formally charged moiety and are generally comprised of at least two components: at least one chromophore component and at least one polymeric component. Suitable chromophore components generally fluoresce blue, red, violet, or purple color when exposed to ultraviolet light, or they may absorb light to reflect these same shades. These thiophene azo dyes are advantageous in providing a hueing effect, for example, a whitening effect to fabrics, while not building up over time and causing undesirable blue discoloration to the treated fabrics. The thiophene azo dyes are also generally stable to bleaching agents used in laundry care compositions.