2-(2-Thienyliden)cyclohexanon | 879-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(2-Thienyliden)cyclohexanon
• 英文别名: thienylmethylenecyclohexanone；(E)-2-((thiophen-2-yl)methylene)cyclohexanone；Propmnolol hydrochloride；(2E)-2-(thiophen-2-ylmethylidene)cyclohexan-1-one
• CAS: 879-94-7
• 化学式: C₁₁H₁₂OS
• mdl: MFCD01626006
• 分子量: 192.282
• InChiKey: AQZVRJWUZNZOFM-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(2-Thienyliden)cyclohexanon 在 carbonyl(pentamethylcyclopentadienyl)cobalt diiodide 、 potassium acetate 、 sodium acetate 、 双三氟甲烷磺酰亚胺银盐 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 生成 2,3-diphenyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline
  参考文献：
  名称：

  氧化还原-中性钴（III）催化的α，β-不饱和肟醚与炔烃的C–H活化/环化：一步到达多取代吡啶

  摘要：

  据报道，α，β-不饱和肟醚与炔烃的氧化还原中性Co（III）催化环化。多取代的吡啶以高收率合成，无需使用任何重金属氧化剂。所开发的方法可以容忍各种功能组。值得注意的是，该转化已应用于生物活性分子脱氢孕烯醇酮的后期修饰。

  DOI：

  10.1021/acs.joc.0c02558
• 作为产物：
  描述：

  2-噻吩甲醛 、 1-吗啉基-1-环己烯 以66%的产率得到2-(2-Thienyliden)cyclohexanon
  参考文献：
  名称：

  Osske, G.; Szabo, D.; Lorand, T., Pharmazie, 1988, vol. 43, # 3, p. 164 - 165

  摘要：

  DOI：

文献信息

• Expanding the Scope of the Direct Regiospecific Asymmetric Aldol Reaction to Enones and Dienones Catalyzed by a BINOL-Derived Brønsted Acid
  作者：Joydeb Das、Fabien Le Cavelier、Jacques Rouden、Jérôme Blanchet

  DOI：10.1002/ejoc.201101282

  日期：2011.11

  Chiral phosphoric acid (R)-1a has been shown to be an efficient Bronsted acid catalyst for the useful asymmetric synthesis of various acyclic and endo- and exocyclic β-hydroxyenones through a regiospecific aldol reaction between α,β-unsaturated ketones and ethyl glyoxalate. Moreover, two unprecedented examples involving sensitive dienones are reported.

  手性磷酸 (R)-1a 已被证明是一种有效的布朗斯台德酸催化剂，通过 α,β-不饱和酮和乙醛酸乙酯之间的区域特异性羟醛反应，可用于各种无环和内环和外环 β-羟基烯酮的有用不对称合成。此外，报告了两个前所未有的涉及敏感二烯酮的例子。
• SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha
  申请人：Reichelt Claudia

  公开号：US20120094987A1

  公开（公告）日：2012-04-19

  The invention relates to compounds of general formula (I); 1a, 1b, 1c and 1d. The invention also relates to a method for the production thereof, pharmaceutical preparations containing said compounds and/or physiologically compatible salts thereof which can be produced therefrom and/or solvates thereof, and to the pharmaceutical use of said compounds, salts or solvates thereof as inhibitors of phosphodiesterase 4. The compounds comprise active ingredients for the treatment of diseases which can have a positive influence by inhibiting the activity of phosphodiesterase 4 and/or TNFα-release, for example, in lymphocytes, eosinophile and basophile granulocytes, macrophages and mastocytes.

  本发明涉及一般式（I）的化合物，包括1a、1b、1c和1d。本发明还涉及生产这些化合物的方法，含有该化合物和/或可由其制备的生理相容盐和/或溶剂化物的制药制剂，以及该化合物、盐或溶剂化物作为磷酸二酯酶4的抑制剂的药物用途。这些化合物包含用于通过抑制磷酸二酯酶4和/或TNFα释放的活性成分治疗疾病的，例如淋巴细胞、嗜酸性粒细胞和嗜碱性粒细胞、巨噬细胞和肥大细胞等。
• Synthesis of hydrogenated indazole derivatives starting with α,β-unsaturated ketones and hydrazine derivatives
  作者：Azadeh Nakhai、Jan Bergman

  DOI：10.1016/j.tet.2009.01.041

  日期：2009.3

  The reaction of hydrazine derivatives with alpha,beta-unsaturated ketones, such as cyclohexenyl(phenyl) methanone and (E)-2-benzylidenecyclohexanone, were investigated.The reaction between methylhydrazine and e.g., cyclohexenyl(phenyl)methanone was particularly interesting as 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole was obtained as the major product together with 4,5,6,7-tetrahydro-2-methyl-3-phenyl-2H-indazole as a minor product. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and structure of unsymmetrical cross-conjugated dienones with thienyl substituents
  作者：Yu. A. Fomina、A. G. Golikov、A. P. Kriven’ko

  DOI：10.1134/s1070428008050126

  日期：2008.5

  By condensation of thiophenecarbaldehyde and m-nitrobenzaldehyde with furyl-, thienylmethylenecyclohexanones in basic medium 2-(het)arylmethylene-6-thienylmethylenecyclohexanones were prepared. Under the conditions of acid catalysis analogously built dienones were synthesized containing 5-nitrothiophene fragment. Based on the data of IR and (1)H NMR spectroscopy their E,E-configuration was established.
• DUBUS P.; DECROIX B.; MOREL J.; PASTOUR P., BULL. SOC. CHIM. FRANCE <BSCF-AS>, 1976, NO 3-4, PART. 2, 628-634
  作者：DUBUS P.、 DECROIX B.、 MOREL J.、 PASTOUR P.

  DOI：——

  日期：——