(3-methylbenzo[b]thiophen-2-yl)methanol | 3133-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (3-methylbenzo[b]thiophen-2-yl)methanol
• 英文别名: 2-Hydroxymethyl-3-methylbenzothiophene；(3-methyl-benzo[b]thiophen-2-yl)-methanol；(3-methyl-benzo[b]thiophene-2-yl)-methanol；(3-methyl-1-benzothiophen-2-yl)methanol；(3-methyl-1-benzothien-2-yl)methanol；2-Hydroxymethyl-3-methyl-benzothiophen
• CAS: 3133-88-8
• 化学式: C₁₀H₁₀OS
• mdl: MFCD01566603
• 分子量: 178.255
• InChiKey: TXZSDWAGMTULKT-UHFFFAOYSA-N

物化性质

• 熔点：
  90.6-91.6 °C
• 沸点：
  339.6±27.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-methylbenzo[b]thiophen-2-yl)methanol 在 氯化亚砜 作用下， 生成 2-氯甲基-3-甲基苯并噻吩
  参考文献：
  名称：

  Ring Scission During Formation of the Grignard Reagent from 3-Methyl-2-(chloromethyl)-thianaphthene. Ring Closure of o-(α-Methylallenyl)-thiophenol

  摘要：

  DOI：

  10.1021/ja01132a010
• 作为产物：
  描述：

  3-甲基苯并噻吩-2-羧酸 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 (3-methylbenzo[b]thiophen-2-yl)methanol
  参考文献：
  名称：

  Reactions of 3-Thianaphthenylmethylmagnesium Chloride

  摘要：

  DOI：

  10.1021/ja01129a011

文献信息

• Controlled Reduction of Carboxamides to Alcohols or Amines by Zinc Hydrides
  作者：Derek Yiren Ong、Zhihao Yen、Asami Yoshii、Julia Revillo Imbernon、Ryo Takita、Shunsuke Chiba

  DOI：10.1002/anie.201900233

  日期：2019.4

  New protocols for controlled reduction of carboxamides to either alcohols or amines were established using a combination of sodium hydride (NaH) and zinc halides (ZnX2). Use of a different halide on ZnX2 dictates the selectivity, wherein the NaH‐ZnI2 system delivers alcohols and NaH‐ZnCl2 gives amines. Extensive mechanistic studies by experimental and theoretical approaches imply that polymeric zinc

  使用氢化钠（NaH）和卤化锌（ZnX 2）的组合，建立了将羧酰胺控制还原为醇或胺的新方案。在ZnX 2上使用不同的卤化物决定了选择性，其中NaH-ZnI 2系统提供醇，而NaH-ZnCl 2系统提供胺。通过实验和理论方法进行的广泛机理研究表明，聚合氢化锌（ZnH 2）∞负责醇的形成，而二聚氯化锌氢化物（H-Zn-Cl）2是生产胺的关键物质。
• COLD MENTHOL RECEPTOR-1 ANTAGONISTS
  申请人：Colburn Raymond W.

  公开号：US20120053347A1

  公开（公告）日：2012-03-01

  The invention is directed to TRPM8 antagonists of Formula (I). More specifically, the present invention relates to certain novel compounds, methods for preparing compounds, compositions, intermediates and derivatives thereof and methods for treating TRPM8-mediated disorders. Pharmaceutical and veterinary compositions and methods of treating pain and various other disease states or conditions using compounds of the invention are also described.

  这项发明涉及式(I)的TRPM8拮抗剂。更具体地，本发明涉及某些新颖化合物，制备化合物的方法，组合物，中间体及其衍生物，以及治疗TRPM8介导的疾病的方法。还描述了使用本发明化合物治疗疼痛和各种其他疾病状态或病情的药用和兽医组合物及治疗方法。
• [EN] INHIBITORS OF FATTY ACID AMIDE HYDROLASE<br/>[FR] INHIBITEURS D'HYDROLASE D'AMIDE D'ACIDE GRAS
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2010118159A1

  公开（公告）日：2010-10-14

  Provided herein are compounds of formula (I): or pharmaceutically acceptable salts, solvates or prodrugs thereof or mixtures thereof, wherein Z1, Z2, X1, X2, X3, R1, R2 R3, R4, m and n are defined herein. Also provided are pharmaceutically acceptable compositions that include a compound of formula I and a pharmaceutically acceptable excipient. Also provided are methods for treating an FAAH-mediated disorder comprising administering to a subject in need thereof a therapeutically effective amount of a compound or composition of the present invention.

  本文提供了式（I）的化合物或其药学上可接受的盐、溶剂化合物、前药或它们的混合物，其中Z1、Z2、X1、X2、X3、R1、R2、R3、R4、m和n在此处被定义。还提供了包括式I的化合物和药学上可接受的赋形剂的药学上可接受的组合物。还提供了治疗FAAH介导的疾病的方法，包括向需要的受试者施用本发明的化合物或组合物的治疗有效量。
• Receptor Function Regulator
  申请人：Fukatsu Kohji

  公开号：US20090012093A1

  公开（公告）日：2009-01-08

  The GPR40 receptor function regulator of the present invention, which comprises a compound having an aromatic ring and a group capable of releasing cation is useful as an insulin secretagogue or an agent for the prophylaxis or treatment of diabetes and the like.

  本发明的GPR40受体功能调节剂包括具有芳香环和能够释放阳离子的基团的化合物，可用作胰岛素分泌剂或预防或治疗糖尿病等疾病的药剂。
• Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1
  申请人：Aicher Thomas Daniel

  公开号：US20080207691A1

  公开（公告）日：2008-08-28

  The present invention provides compounds of formula I that are useful as potent and selective inhibitors of 11-beta hydroxysteroid dehydrogenase 1. The present invention further provides a pharmaceutical composition which comprises a compound of Formula I, or a pharmaceutical salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. In addition, the present invention provides compositions comprising compounds of formula I for the treatment of metabolic syndrome, diabetes, hyperglycemia, obesity, hypertension, hyperlipidemia, other symptoms associated with hyperglycemia, and related disorders. Formula (I) wherein, Ru 0 is (II), or (III) G 1 is methylene or ethylene; L is a divalent linking group selected from —(C 1 -C 4 ) alkylene-, —S—, —CH(OH)—, or —O—; A is methylene, —S—, —O—, or —NH—; and the other substituents are as defined in the claims.

  本发明提供了式I的化合物，其作为11-β羟基类固醇脱氢酶1的有效和选择性抑制剂。本发明进一步提供了一种药物组合物，其包括式I的化合物或其药用盐，以及药用可接受的载体、稀释剂或赋形剂。此外，本发明还提供了包含式I化合物的组合物，用于治疗代谢综合征、糖尿病、高血糖、肥胖症、高血压、高脂血症、与高血糖相关的其他症状和相关疾病。其中，式（I）中，Ru0是（II）或（III），G1是亚甲基或乙烯基；L是选择自—（C1-C4）烷基-、—S—、—CH（OH）—或—O—的二价连接基；A是亚甲基、—S—、—O—或—NH—；其他取代基如权利要求所定义。