1-[5-(hydroxymethyl)thiophen-2-yl]ethan-1-one | 33148-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[5-(hydroxymethyl)thiophen-2-yl]ethan-1-one
• 英文别名: 1-(5-(hydroxymethyl)thiophen-2-yl)ethanone；5-Hydroxymethyl-2-acetyl-thiophen；5-Hydroxymethyl-2-acetothienon；1-[5-(hydroxymethyl)-thien-2-yl]-ethanone；1-[5-(Hydroxymethyl)-2-thienyl]ethanone；1-[5-(hydroxymethyl)thiophen-2-yl]ethanone
• CAS: 33148-84-4
• 化学式: C₇H₈O₂S
• mdl: MFCD06202945
• 分子量: 156.205
• InChiKey: PUPQMUREXOZOPH-UHFFFAOYSA-N

物化性质

• 沸点：
  320.9±32.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 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：

  1-[5-(hydroxymethyl)thiophen-2-yl]ethan-1-one 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 1-(5-(chloromethyl)thiophen-2-yl)ethanone
  参考文献：
  名称：

  五元杂芳烃与烯丙基三丁基锡烷的钯催化区域选择性烯丙基化。

  摘要：

  在这项研究中描述了钯催化的2-（氯甲基）噻吩，2-（氯甲基）呋喃和N-保护的2-（氯甲基）-1H-吡咯与烯丙基三丁基锡烷的烯丙基化反应。这种类型的烯丙基化反应区域选择性地发生在杂芳烃环上，以令人满意的产率产生烯丙基化的脱芳香化产物或烯丙基化的杂芳烃。

  DOI：

  10.1039/c4cc10373d
• 作为产物：
  描述：

  5-乙酰基-2-噻吩甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 1-[5-(hydroxymethyl)thiophen-2-yl]ethan-1-one
  参考文献：
  名称：

  五元杂芳烃与烯丙基三丁基锡烷的钯催化区域选择性烯丙基化。

  摘要：

  在这项研究中描述了钯催化的2-（氯甲基）噻吩，2-（氯甲基）呋喃和N-保护的2-（氯甲基）-1H-吡咯与烯丙基三丁基锡烷的烯丙基化反应。这种类型的烯丙基化反应区域选择性地发生在杂芳烃环上，以令人满意的产率产生烯丙基化的脱芳香化产物或烯丙基化的杂芳烃。

  DOI：

  10.1039/c4cc10373d

文献信息

• [EN] DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] COMPOSÉS DE DIHYDROPYRIDINONE INHIBITEURS DE LA MGAT2 DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015134701A1

  公开（公告）日：2015-09-11

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are monoacylglycerol acyltransferase type 2 (MGAT2) inhibitors which may be used as medicaments.

  本发明提供了以下式（I）的化合物：或其立体异构体，或其药学上可接受的盐，其中所有变量均如本文所定义。这些化合物是单酰基甘油酰基转移酶2（MGAT2）抑制剂，可用作药物。
• Direct Regioselective Alkylation of Non-Basic Heterocycles with Alcohols and Cyclic Ethers through a Dehydrogenative Cross-Coupling Reaction under Metal-Free Conditions
  作者：Ebrahim Kianmehr、Maryam Fardpour、Khalid Mohammed Khan

  DOI：10.1002/ejoc.201700030

  日期：2017.5.10

  A metal-free, simple, and highly efficient method for the direct alkylation of non-basic heterocycles and basic ones with various alcohols and cyclic ethers has been developed based on an oxidative C–H activation process. The corresponding products were generated through a dehydrogenative C–C cross-coupling reaction in the presence of di-tert-butyl peroxide in good to high yields.

  基于氧化CH活化过程，开发了一种无金属的，简单而高效的方法，可以将非碱性杂环和碱性杂环与各种醇和环状醚直接烷基化。在过氧化二叔丁基存在下，通过脱氢CC交叉偶联反应生成了相应的产物，收率很高。
• Novel carbapenem compounds
  申请人：Sunagawa Makoto

  公开号：US20050020566A1

  公开（公告）日：2005-01-27

  A compound or its pharmaceutically acceptable salt represented by the following formula: The invention is a carbapenem compound which has a potent antibacterial activity over a broad range of Gram negative and Gram positive bacteria, especially penicillin-resistant Streptococcus pneumoniae (PRSP) which has been isolated at an elevated frequency in recent years and thus causes a serious clinical problem, and Haemophilus influenzae which has acquired resistance against the existing β-lactam antibiotics over a wide scope due to penicillin-binding protein (PBP) mutations such as β-lactamase non-producing ampicillin-resistant (BLNAR) Haemophilus influenzae, and has excellent oral absorbability.

  以下是化合物或其药学上可接受的盐的化学式： 该发明是一种羧甲基青霉烯化合物，具有广谱的抗革兰氏阴性和革兰氏阳性细菌的强效抗菌活性，特别是耐青霉素的肺炎链球菌（PRSP），这些菌株在近年来被高频率地分离出来，因此引起了严重的临床问题，以及流感嗜血杆菌，由于青霉素结合蛋白（PBP）突变，如β-内酰胺酶非产生性氨苄西林耐药（BLNAR）流感嗜血杆菌而对现有的β-内酰胺类抗生素产生了抗药性，并且具有优异的口服吸收性。
• Carbapenem compounds
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：US07205291B2

  公开（公告）日：2007-04-17

  A compound or its pharmaceutically acceptable salt represented by the following formula: The invention is a carbapenem compound which has a potent antibacterial activity over a broad range of Gram negative and Gram positive bacteria, especially penicillin-resistant Streptococcus pneumoniae (PRSP) which has been isolated at an elevated frequency in recent years and thus causes a serious clinical problem, and Haemophilus influenzae which has acquired resistance against the existing β-lactam antibiotics over a wide scope due to penicillin-binding protein (PBP) mutations such as β-lactamase non-producing ampicillin-resistant (BLNAR) Haemophilus influenzae, and has excellent oral absorbability.

  以下是该文本的中文翻译： 一种化合物或其药学上可接受的盐，其化学式如下所示：本发明是一种碳青霉烯化合物，具有强大的抗菌活性，可对广泛的革兰氏阴性菌和革兰氏阳性菌起作用，特别是对近年来频繁分离的耐青霉素链球菌（PRSP）和已经由于青霉素结合蛋白（PBP）突变而对现有β-内酰胺类抗生素产生抗性的β-内酰胺酶非产生性氨苄青霉素耐药（BLNAR）流感嗜血杆菌具有优异的口服吸收性，而这些细菌也是造成严重临床问题的原因。
• NOVEL CARBAPENEM COMPOUNDS
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1443047A1

  公开（公告）日：2004-08-04

  Novel carbapenem compounds represented by the following general formula [1] or pharmaceutically acceptable salts thereof: [1], wherein the ring E represents a benzene ring or a thiophene ring; R1 represents alkyl, etc., A represents alkylene, etc.; R0 represents hydrogen atom, carbamoyl, carboxyl, etc.; R represents hydrogen atom, etc.; and Y represents hydrogen atom, alkyl, etc. It is intended to provide β-lactum drugs having an excellent antimicrobial activity against influenza viruses which have acquired broad resistance to existing β-lactum drugs as the results of penicillin binding protein (PBP) mutations in gram-positive strains and gram-negative strains over a wide scope, in particular, penicillin resistant Streptococcus pneumoniae (PRSP), etc.

  由以下通式[1]代表的新型碳青霉烯类化合物或其药学上可接受的盐类：[1]，其中环E代表苯环或噻吩环；R1代表烷基等，A代表亚烷基等；R0代表氢原子、氨基甲酰基、羧基等；R代表氢原子等；Y代表氢原子、烷基等。本发明旨在提供对流感病毒具有优异抗菌活性的β-内酰胺类药物，这些流感病毒由于革兰氏阳性菌株和革兰氏阴性菌株中的青霉素结合蛋白（PBP）突变而对现有的β-内酰胺类药物产生广泛的抗药性，特别是对青霉素耐药的肺炎链球菌（PRSP）等。