(+/-)-2-benzo[b]thiophen-2-yl-propionic acid | 85494-05-9

• 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: (+/-)-2-benzo[b]thiophen-2-yl-propionic acid
• 英文别名: (+/-)-2-Benzo[b]thiophen-2-yl-propionsaeure；2-(1-Benzothiophen-2-yl)propanoic acid
• CAS: 85494-05-9
• 化学式: C₁₁H₁₀O₂S
• 分子量: 206.265
• InChiKey: RANJWIAFZYZATR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  (+/-)-2-benzo[b]thiophen-2-yl-propionic acid 在 镍 、 sodium carbonate 作用下， 生成 (S)-2-methyl-4-phenyl-1-butanoic acid
  参考文献：
  名称：

  Sjoeberg, Arkiv foer Kemi, 1958, vol. 12, p. 565,570

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢碘酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 (+/-)-2-benzo[b]thiophen-2-yl-propionic acid
  参考文献：
  名称：

  Sjoeberg, Arkiv foer Kemi, 1958, vol. 12, p. 565,570

  摘要：

  DOI：

文献信息

• Boryl Radical Activation of Benzylic C–OH Bond: Cross-Electrophile Coupling of Free Alcohols and CO₂ via Photoredox Catalysis
  作者：Wen-Duo Li、Yang Wu、Shi-Jun Li、Yi-Qian Jiang、Yan-Lin Li、Yu Lan、Ji-Bao Xia

  DOI：10.1021/jacs.1c12463

  日期：2022.5.18

  a range of primary, secondary, and tertiary benzyl alcohols to acids has been achieved. Control experiments and computational studies indicate that activation of alcohols with neutral boryl radical undergoes homolysis of the C(sp3)–OH bond, generating alkyl radicals. After reducing the alkyl radical into carbon anion under photoredox conditions, the following carboxylation with CO2 affords the coupling

  通过在温和的可见光光氧化还原条件下用四苯基硼酸钠产生的中性二苯基硼基自由基活化游离醇，开发了一种直接裂解 C(sp 3 )-OH 键的新策略。该策略已通过游离醇和二氧化碳的交叉亲电偶联来合成羧酸得到验证。已经实现了将一系列伯、仲和叔苯甲醇直接转化为酸。对照实验和计算研究表明，用中性硼基自由基活化醇会发生 C(sp 3 )-OH 键的均裂，从而产生烷基自由基。在光氧化还原条件下将烷基自由基还原成碳阴离子后，用CO进行以下羧化2提供耦合产品。
• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• Heterocyclic acetic acid compounds and compositions for treating bone diseases
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0068563A2

  公开（公告）日：1983-01-05

  Certain acetic acid derivatives of benzothiophene, benzimidazole, phenothiazine, benzofuran, dibenzothiophene. and similar heterocyclic compounds have been found to inhibit bone resorption and to enhance bone formation. The compounds of this invention are therefore useful in the treatment of diseases characterized by anomalous bone metabolism.

  已发现苯并噻吩、苯并咪唑、吩噻嗪、苯并呋喃、二苯并噻吩和类似杂环化合物的某些乙酸衍生物可抑制骨吸收和促进骨形成。因此，本发明的化合物可用于治疗以骨代谢异常为特征的疾病。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1806342B1

  公开（公告）日：2013-04-17