2-羟基-2-噻吩-3-基乙酸 | 22098-20-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 2-羟基-2-噻吩-3-基乙酸
• 英文名称: hydroxythiophen-3-ylacetic acid
• 英文别名: hydroxy(thien-3-yl)acetic acid；3-thienylglycolic acid；3-Thienylglykolsaeure；hydroxy-thiophen-3-yl-acetic acid；(+/-)-hydroxy-[3]thienyl-acetic acid；(+/-)-Hydroxy-[3]thienyl-essigsaeure；2-hydroxy-2-thiophen-3-ylacetic acid
• CAS: 22098-20-0
• 化学式: C₆H₆O₃S
• 分子量: 158.178
• InChiKey: SYSIWCFUWJWRHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-羟基-2-噻吩-3-基乙酸 在 番木鳖碱 作用下， 生成 (S)-(+)-2-hydroxy-2-(thiophen-3-yl)acetic acid
  参考文献：
  名称：

  Gronowitz, Arkiv foer Kemi, 1958, vol. 13, p. 239,241

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙酰基噻吩 在 selenium(IV) oxide 、 ytterbium(III) triflate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.0h， 以85%的产率得到2-羟基-2-噻吩-3-基乙酸
  参考文献：
  名称：

  Ytterbium Triflate-Promoted Tandem One-Pot Oxidation−Cannizzaro Reaction of Aryl Methyl Ketones

  摘要：

  Ytterbium triflate was shown to be an effective catalyst in promoting the synthesis of either isopropyl esters or free alpha-hydroxy-arylacetic acids from substituted aromatic glyoxals and aryl methyl ketones, respectively. The reaction to provide acids starting from differently substituted ketones was carried out by an environmentally friendly method using an aqueous medium as a solvent and giving the adducts in 78-99% yield without any further purification after the usual workup.

  DOI：

  10.1021/ol050125e

文献信息

• NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE
  申请人：Hidaka Hiroyoshi

  公开号：US20130274269A1

  公开（公告）日：2013-10-17

  The present invention provides a novel isoquinoline-6-sulfonamide derivative that is useful as a medicine. The present invention provides an isoquinoline-6-sulfonamide derivative represented by Formula (1), a salt thereof, or a solvate of the derivative or the salt, wherein R 1 and R 2 each independently represent a hydrogen atom, or the like; R 3 and R 4 each independently represent a hydrogen atom, an alkyl group, or the like; R 5 represents a hydrogen atom, an optionally substituted alkyl group, an optionally substituted alkenyl group, an optionally substituted alkynyl group, an optionally substituted cycloalkyl group, an optionally substituted alkanoyl group, or the like; and A represents a linear or branched alkylene group having 2 to 6 carbon atoms.

  本发明提供了一种新型的异喹啉-6-磺酰胺衍生物，该衍生物可用作药物。本发明提供了一种由公式（1）表示的异喹啉-6-磺酰胺衍生物，其盐，或衍生物或盐的溶剂化物，其中R1和R2各自独立地代表氢原子或类似物；R3和R4各自独立地代表氢原子、烷基或类似物；R5代表氢原子、可选地取代的烷基、可选地取代的烯基、可选地取代的炔基、可选地取代的环烷基、可选地取代的烷酰基或类似物；A代表具有2至6个碳原子的直链或支链亚烷基。
• Nitrilases, nucleic acids encoding them and methods for making and using them
  申请人：Diversa Corporation

  公开号：US20040014195A1

  公开（公告）日：2004-01-22

  The invention relates to nitrilases and to nucleic acids encoding the nitrilases. In addition methods of designing new nitrilases and method of use thereof are also provided. The nitrilases have increased activity and stability at increased pH and temperature.

  该发明涉及腈酶和编码腈酶的核酸。此外还提供了设计新腈酶的方法以及使用该方法的方法。这些腈酶在较高的pH值和温度下具有增加的活性和稳定性。
• [EN] PESTICIDAL COMPOUNDS<br/>[FR] COMPOSÉS PESTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016012333A1

  公开（公告）日：2016-01-28

  A method of combating and controlling insects, acarines, nematodes or molluscs which comprises applying to a pest, to a locus of a pest, or to a plant susceptible to attack by a pest an insecticidally, acaricidally, nematicidally or molluscicidally effective amount of a compound of formula (I), wherein R1 is R4, YR5 or ZR6; Y is CO or C=S; Z is S, S(O), SO2 or PO2; and A is an optionally substituted phenyl or an optionally substituted heteroaromatic ring, wherein R1 to R6 are defined organic groups; new compounds are also provided.

  一种用于对抗和控制昆虫、螨虫、线虫或软体动物的方法，包括向害虫、害虫栖息地或易受害虫攻击的植物施加化学式(I)中的一种化合物的杀虫、杀螨、杀线虫或杀软体动物有效量，其中R1为R4、YR5或ZR6；Y为CO或C=S；Z为S、S(O)、SO2或PO2；A为一个可选择取代的苯基或可选择取代的杂环，其中R1至R6为定义的有机基团；还提供了新的化合物。
• Antimuscarinic bronchodilators
  申请人：Pfizer Inc.

  公开号：US05171744A1

  公开（公告）日：1992-12-15

  Compounds having the formula: ##STR1## wherein X is either (a) a phenyl group optionally substituted by 1 or 2 substituents each independently selected from halo, CF.sub.3, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy and hydroxy, or (b) a thienyl group; and Y is an imidazolyl, pyrazolyl, triazolyl or tetrazolyl group optionally substituted by 1 or 2 substituents each independently selected from halo, CF.sub.3, C.sub.1 -C.sub.4 alkoxy, hydroxy and amino; and pharmaceutically acceptable salts thereof, are antimuscarinic bronchodilators useful in the treatment of chronic obstructive airways disease and asthma.

  具有以下结构式的化合物：##STR1## 其中X可以是(a)苯基，可选择1或2个取代基，每个取代基独立地选择自卤素，CF.sub.3，C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基和羟基，或(b)噻吩基；而Y是咪唑基，吡唑基，三唑基或四唑基，可选择1或2个取代基，每个取代基独立地选择自卤素，CF.sub.3，C.sub.1-C.sub.4烷氧基，羟基和氨基；其药物可接受的盐，是治疗慢性阻塞性呼吸道疾病和哮喘的抗胆碱能支气管扩张剂。
• Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them
  申请人：DeSantis Grace

  公开号：US20100009426A1

  公开（公告）日：2010-01-14

  The invention relates to nitrilases and to nucleic acids encoding the nitrilases. In addition methods of designing new nitrilases and method of use thereof are also provided. The nitrilases have increased activity and stability at increased pH and temperature.

  本发明涉及到腈酶以及编码腈酶的核酸。此外，还提供了设计新腈酶的方法和使用该方法的方法。这些腈酶在高pH和高温下具有增强的活性和稳定性。