4-ethylthiophene-2-carboxylic acid | 78585-26-9

• 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: 4-ethylthiophene-2-carboxylic acid
• 英文别名: 4-Ethyl-2-thiophenecarboxylic Acid
• CAS: 78585-26-9
• 化学式: C₇H₈O₂S
• 分子量: 156.205
• InChiKey: YKIJVMPJDMKQTP-UHFFFAOYSA-N

物化性质

• 沸点：
  290.7±28.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-ethylthiophene-2-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-hydroxymethyl-4-ethylthiophene
  参考文献：
  名称：

  Stereoselective synthesis of E-homoallylic alcohols from ?-(dihydro)thienylmethanols

  摘要：

  DOI：

  10.1007/bf00949727
• 作为产物：
  描述：

  3-乙基噻吩 、 二氧化碳 在 正丁基锂 、 四甲基乙二胺 作用下， 以60%的产率得到4-ethylthiophene-2-carboxylic acid
  参考文献：
  名称：

  Stereoselective synthesis of E-homoallylic alcohols from ?-(dihydro)thienylmethanols

  摘要：

  DOI：

  10.1007/bf00949727

文献信息

• NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1506195B1

  公开（公告）日：2008-10-29
• BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS
  申请人：Sattigeri Jitendra A.

  公开号：US20110166088A1

  公开（公告）日：2011-07-07

  The present invention provides Gyrase B and/or Topoisomerase IV par E inhibitors, which can be used as antibacterial agents. Compounds disclosed herein can be used for treating or preventing conditions caused by or contributed by gram positive, gram negative and anaerobic bacteria, more particularly against, for example, Staphylococci, Streptococci, Enterococci, Haemophilus, Pseudomonas spp., Acenetobacter spp., Moraxalla spp., Chlamydia spp., Mycoplasma spp., Legionella spp., Ktycobacterium spp., Helicobacter, Clostridium spp., Bacteroides spp., Corynebacterium, Bacillus spp., Enterobactericeae,’ ( E. coli, Klebsiella spp., Proteus spp., etc.) or any combination thereof. Also provided, are processes for preparing compounds disclosed herein, pharmaceutical compositions containing compounds disclosed herein, and methods of treating bacterial infections. (Formula)
• US4571437A
  申请人：——

  公开号：US4571437A

  公开（公告）日：1986-02-18
• US5840917A
  申请人：——

  公开号：US5840917A

  公开（公告）日：1998-11-24
• [EN] CONVERGENT SYNTHESIS OF A GARFT INHIBITOR CONTAINING A METHYL SUBSTITUTE THIOPHENE CORE AND A TETRAHYDROPYRIDO`2,3-D! PYRIMIDINE RING SYSTEM AND INTERMEDIATES THEREFOR<br/>[FR] SYNTHESE CONVERGENTE D'UN INHIBITEUR DE GARFT RENFERMANT UN NOYAU THIOPHENE METHYLE-SUBSTITUE ET UN SYSTEME CYCLIQUE TETRAHYDROPYRIDO'2,3-D !PYRIMIDINIQUE, ET INTERMEDIAIRES ASSOCIES
  申请人：PFIZER

  公开号：WO2004113337A1

  公开（公告）日：2004-12-29

  The invention relates to processes for the preparation of a GARFT inhibitor containing a methyl substituted thiophene core having the following structure (I), wherein each of R1 and R2 are independently a hydrogen atom or a moiety that together with the attached CO2 forms a readily hydrolyzable ester group; from an intermediate of the formula (III), wherein R3 is a moiety that together with the attached CO2 forms a readily hydrolyzable ester group; Pg1 is an amino protecting group; 10 R4 is H; or Pg1 can optionally be taken together with R4 and the nitrogen to which Pg1 and R are attached to form (i) an imine; or (ii) a fused or bridged bicyclic ring or a spirocyclic ring, wherein said ring is saturated and contains from 5 to 12 carbon atoms in which up to 2 carbon atoms are optionally replaced with a hetero moiety selected from O, S(O)S wherein j is an integer from 0 to 2, and -NR8-, provided that two O atoms, two S(O); moieties, or an O atom and a S(O); moiety are not attached directly to each other; R5 is selected from the group consisting of -C=-C- and -CH=CH-; and R8 is independently H or C1-C6 alkyl; to form the compound of the formula (I) that is optically pure; and to processes for preparing 20 intermediates thereof.