3-(叔丁基氧羰基氨基)-2-甲酰基噻吩 | 368442-47-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(叔丁基氧羰基氨基)-2-甲酰基噻吩
• 英文名称: tert-butyl (2-formylthiophen-3-yl)carbamate
• 英文别名: tert-butyl N-(2-formylthiophen-3-yl)carbamate
• CAS: 368442-47-1
• 化学式: C₁₀H₁₃NO₃S
• mdl: MFCD22417221
• 分子量: 227.284
• InChiKey: WFKLWNDDNOQFKO-UHFFFAOYSA-N

物化性质

• 密度：
  1.186 g/mL at 25 °C
• 闪点：
  >110℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(叔丁基氧羰基氨基)-2-甲酰基噻吩 在 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4H-噻吩并[3,2-b]吡咯-5-羧酸甲酯
  参考文献：
  名称：

  Novel thienopyrrole glycogen phosphorylase inhibitors: Synthesis, in vitro SAR and crystallographic studies

  摘要：

  Two series of novel thienopyrrole inhibitors of recombinant human liver glycogen phosphorylase a (GPa) which are effective in reducing glucose output from rat hepatocytes are described. Representative compounds have been shown to bind at the dimer interface site of the rabbit muscle enzyme by X-ray crystallography.

  DOI：

  10.1016/j.bmcl.2006.08.047
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以73%的产率得到3-(叔丁基氧羰基氨基)-2-甲酰基噻吩
  参考文献：
  名称：

  A General Modular Method of Azaindole and Thienopyrrole Synthesis via Pd-Catalyzed Tandem Couplings of gem-Dichloroolefins

  摘要：

  A palladium-catalyzed reaction of gem-dichloroolefins and a boronic acid via a tandem intramolecular C-N and intermolecular Suzuki coupling process gave corresponding substituted azaindoles or thienopyrroles. This method is a very modular protocol to synthesize all four isomers of azaindole and two isomers of thienopyrroles in good to excellent yield.

  DOI：

  10.1021/jo070460b

文献信息

• Novel antifungal agent containing heterocyclic compound
  申请人：Nakamoto Kazutaka

  公开号：US20070105943A1

  公开（公告）日：2007-05-10

  The present invention provides an antifungal agent represented by the formula: [wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其表示为以下式子： [其中A1表示一个3-吡啶基团，可能具有取代基，喹啉基团，可能具有取代基或类似物；X1表示由公式—NH—C（═O）—，由公式—C（═O）—NH—或类似物表示的基团；E表示呋喃基团，噻吩基团，吡咯基团，苯基团，吡啶基团，四唑基团，噻唑基团或吡唑基团；但A1可能具有1到3个取代基，E具有一个或两个取代基。]
• Novel Antimalarial Agent Containing Heterocyclic Compound
  申请人：Nakamoto Kazutaka

  公开号：US20090227799A1

  公开（公告）日：2009-09-10

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A 1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X 1 represents a group represented by the formula —C(═O)—NH— or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A 1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  揭示了一种抗疟疾剂，其包含由下式表示的化合物： [其中A1表示一个3-吡啶基团，可以有取代基，一个6-喹啉基团，可以有取代基或类似物；X1表示一个由公式-C（═O）-NH-或类似物表示的基团；E表示一个呋喃基团，噻吩基团或苯基团；但前提是A1可以有1到3个取代基，E有两个取代基之一]或其盐或水合物。
• NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND
  申请人：NAKAMOTO Kazutaka

  公开号：US20110195999A1

  公开（公告）日：2011-08-11

  The present invention provides an antifungal agent represented by the formula: wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents.

  本发明提供一种抗真菌剂，其化学式如下： 其中，A1代表3-吡啶基，可以有取代基，喹啉基，也可以有取代基等；X1代表由公式—NH—C（═O）—，由公式—C（═O）—NH—等表示的基团；E代表呋喃基，噻吩基，吡咯基，苯基，吡啶基，四唑基，噻唑基或吡唑基；但要求A1可能有1到3个取代基，E有1或2个取代基。
• Antifungal agent containing heterocyclic compound
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07932272B2

  公开（公告）日：2011-04-26

  The present invention provides an antifungal agent represented by the formula: [wherein A1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其化学式如下：[其中A1代表3-吡啶基，可以具有取代基，喹啉基，也可以具有取代基等；X1代表由公式—NH—C（═O）—，由公式—C（═O）—NH—等表示的基团；E代表呋喃基，噻吩基，吡咯基，苯基，吡啶基，四唑基，噻唑基或吡唑基；限制条件是A1可以有1到3个取代基，E有一个或两个取代基]。
• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE TROUBLES DU SYSTÈME NERVEUX CENTRAL
  申请人：BLUE OAK PHARMACEUTICALS INC

  公开号：WO2022204150A1

  公开（公告）日：2022-09-29

  The present disclosure provides compounds and pharmaceutical compositions thereof. Methods of making and using the compounds are also provided. The compounds can be used to modulate such as activate TAAR1 and can be used for the treatment, prevention, diagnosis and/or management of various CNS disorders.

  本公开提供化合物及其制药组合物。还提供制备和使用这些化合物的方法。这些化合物可以用于调节，例如激活TAAR1，并可用于治疗、预防、诊断和/或管理各种中枢神经系统疾病。