ethyl 4-cyano-3-methylthiophene-2-carboxylate | 232281-14-0

• 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: ethyl 4-cyano-3-methylthiophene-2-carboxylate
• 英文别名: Ethyl 3-cyano-4-methylthiophene-5-carboxylate
• CAS: 232281-14-0
• 化学式: C₉H₉NO₂S
• 分子量: 195.242
• InChiKey: NMCZTUHUUFFVHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-cyano-3-methylthiophene-2-carboxylate 在 lithium aluminium tetrahydride 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到5-hydroxymethyl-4-methylthiophene-3-carbonitrile
  参考文献：
  名称：

  Thrombin inhibitors

  摘要：

  新型五元杂环胺基化物，其制备和用作胰蛋白酶样丝氨酸蛋白酶的竞争性抑制剂，特别是血栓素和激肽原酶如激肽原酶的抑制剂。含有这些化合物作为活性成分的药物组合物，以及将这些化合物用作血栓素抑制剂、抗凝剂和抗炎药剂。

  公开号：

  US06740647B1
• 作为产物：
  描述：

  Ethyl 5-氨基-4-氰基-3-甲基-2-噻吩羧酸乙酯 在 亚硝酸特丁酯 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙腈 为溶剂， 以48%的产率得到ethyl 4-cyano-3-methylthiophene-2-carboxylate
  参考文献：
  名称：

  Thrombin inhibitors

  摘要：

  新型五元杂环胺基化物，其制备和用作胰蛋白酶样丝氨酸蛋白酶的竞争性抑制剂，特别是血栓素和激肽原酶如激肽原酶的抑制剂。含有这些化合物作为活性成分的药物组合物，以及将这些化合物用作血栓素抑制剂、抗凝剂和抗炎药剂。

  公开号：

  US06740647B1

文献信息

• Low molecular weight inhibitors of complement proteases
  申请人：BASF Aktiengesellschaft

  公开号：US06683055B1

  公开（公告）日：2004-01-27

  Peptide substances, their preparation and their use as complement inhibitors are described. These are in particular substances having a guanidine or amidine radical as a terminal group. In particular, inhibitors of the complement proteases C1s and C1r are described.

  本文描述了肽物质、其制备和其作为补体抑制剂的用途。这些物质特别是具有鸟氨酸或酰胺基团作为末端基团的物质。特别地，本文描述了抑制补体蛋白酶C1s和C1r的抑制剂。
• 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators
  申请人：Gill Liam Adrian

  公开号：US20070208015A1

  公开（公告）日：2007-09-06

  The invention provides compounds of the formula (I) or a salt, solvate or N-oxide thereof, wherein: R 1 and R 2 are the same or different and each is selected from hydrogen, saturated C 1-3 hydrocarbyl, halogen and cyano; X is selected from C═O, C═S, C(═O)NH, C(═S)NH, C(═O)O, C(═O)S, C(═S)O and C(═S)S; R 3 is selected from aryl and heteroaryl groups each having from 5 to 12 ring members and being unsubstituted or substituted by one or more substituent groups R 10 as defined in the claims; R 4 and R 5 are the same or different and are selected from hydrogen and methyl; or one of R 4 and R 5 is selected from hydroxymethyl and ethyl and the other is hydrogen; and R 6 and R 7 are the same or different and are selected from hydrogen and methyl. The compounds of the formula (I) hayed activity as p38 MAP kinase and Taf kinase inhibitors.

  本发明提供公式（I）的化合物或其盐，溶剂化合物或N-氧化物，其中：R1和R2相同或不同，每个都从氢，饱和的C1-3烃基，卤素和氰中选择；X从C═O，C═S，C（═O）NH，C（═S）NH，C（═O）O，C（═O）S，C（═S）O和C（═S）S中选择；R3从芳基和杂环基中选择，每个具有从5到12个环成员，未取代或被一个或多个R10取代，如权利要求所定义；R4和R5相同或不同，选择从氢和甲基中选择；或者R4和R5中的一个选择从羟甲基和乙基中选择，另一个是氢；R6和R7相同或不同，选择从氢和甲基中选择。公式（I）的化合物具有作为p38 MAP激酶和Taf激酶抑制剂的活性。
• 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。
• A facile synthesis of α-substituted thiophenes from a functionalized 2-aminothiophene by homo- and cross-coupling reactions
  作者：Zita Puterová、Anita Andicsová、Ján Moncol、Constantin Rabong、Daniel Végh

  DOI：10.1016/j.tetlet.2009.06.006

  日期：2009.8

  A series of new a-substituted thiophenes with elongated pi-conjugation are prepared by homo- and cross-coupling reactions. An efficient one-step synthesis of a key intermediate, a substituted 2-iodothiophene, via aprotic diazotization of a Gewald-like 2-aminothiophene is reported. (C) 2009 Elsevier Ltd. All rights reserved.
• 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.