(E)-4-secbutylbut-3-en-2-one | 875587-77-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-4-secbutylbut-3-en-2-one
• 英文别名: 5-methyl-3(E)-hepten-2-one；(E)-5-methylhept-3-en-2-one；5-methyl-hept-3-en-2-one；5-methyl-3-hepten-2-one
• CAS: 875587-77-2
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: QDUQNQQMHZNNTG-AATRIKPKSA-N

物化性质

• 沸点：
  173.8±9.0 °C(Predicted)
• 密度：
  0.831±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-4-secbutylbut-3-en-2-one 、 苯肼,盐酸盐 在 氧气 、 sodium acetate 、 oxovanadium(IV) sulfate 作用下， 以 水 、 甲苯 为溶剂， 反应 20.0h， 以58%的产率得到5-sec-butyl-3-methyl-1-phenyl-1H-pyrazole
  参考文献：
  名称：

  Synthesis of Functionalized Pyrazoles via Vanadium-Catalyzed C–N Dehydrogenative Cross-Coupling and Fluorescence Switch-On Sensing of BSA Protein

  摘要：

  Vanadium-catalyzed C-N dehydrogenative cross-coupling of alkenyl hydrazones leading to functionalized pyrazoles is described in a 1:1 mixture of toluene/H2O using air as the terminal oxidant. Significant practical features include use of the commercial nontoxic VOSO4 as a recyclable catalyst, mild reaction conditions, scalability, and the broad substrate scope. Some of the product pyrazoles exhibit interesting photophysical properties. Fluorescence light-up sensing of BSA protein by one of the pyrazoles is also highlighted.

  DOI：

  10.1021/acs.orglett.5b02669
• 作为产物：
  描述：

  2-甲基丁醛 在 palladium diacetate 哌啶 、 甲酸 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-4-secbutylbut-3-en-2-one
  参考文献：
  名称：

  钯催化烯丙基α-烯基-β-酮酸酯的还原性脱羧。（E）-3-烯酮的新合成

  摘要：

  烯丙基-β-酮酸酯的α-烯基衍生物的还原脱羧反应是通过使用由Pd（OAc）2和PPh 3原位生成的钯（0）催化剂，以甲酸三乙铵为氢化物源，在THF中实现的。该反应可与烯丙基-β-酮酸酯的线性烯基衍生物平稳且清洁地进行，以良好至极佳的收率（73–92％）和高的立体选择性（> 98％）提供（E）-3-烯酮。

  DOI：

  10.1016/j.tetlet.2005.11.122

文献信息

• [EN] INDAZOLES<br/>[FR] INDAZOLES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011140325A1

  公开（公告）日：2011-11-10

  Herein are disclosed indazoles of formula (I) where the various groups are defined herein, and which are useful for treating cancer.

  以下披露了式(I)的吲唑化合物，其中各种基团在此处定义，并且这些化合物对治疗癌症有用。
• Morpholinium Trifluoroacetate-Catalyzed Aldol Condensation of Acetone with both Aromatic and Aliphatic Aldehydes
  作者：Kristina Zumbansen、Arno Döhring、Benjamin List

  DOI：10.1002/adsc.200900902

  日期：——

  We report a highly efficient, general and practical method for the aldol condensation of acetone with aromatic and aliphatic aldehydes, using morpholinium trifluoroacetate as a catalyst.

  我们报告了一种高效，通用和实用的方法，用于将丙酮与芳香族和脂肪族醛醛醇醛缩合，使用三氟乙酸吗啉鎓作为催化剂。
• 3,6-Dimethyl-3-hydroxy-oct-1-ynes and -oct-1-enes, derivatives of these,
  申请人：BASF Aktiengesellschaft

  公开号：US04347388A1

  公开（公告）日：1982-08-31

  3,6-Dimethyl-3-hydroxy-oct-1-ynes and -oct-1-enes and their esters with lower alkanoic acids, of the general formula I ##STR1## where X and Y are H or the two X's and/or the two Y's together are a further bond between the carbon atoms on which they are present, and R is H, --CO--CH.sub.3, --CO--C.sub.2 H.sub.5 or --CO--C.sub.3 H.sub.7, their use as scents, and a process for the preparation of 3,6-dimethyl-3-hydroxy-octane. The novel compounds exhibit interesting, predominantly floral, woody, herbal and fruity notes. The alcohols of the formula I are of particular importance because they serve as intermediates for a novel and particularly advantageous method of obtaining 3,6-dimethyl-3-hydroxy-octane, a compound required in large amounts as a fragrance for soaps and detergents.

  3,6-二甲基-3-羟基-辛-1-炔和-辛-1-烯及其与低碳酸酯的一般式I ##STR1##其中X和Y为H或两个X和/或两个Y在其存在的碳原子之间形成进一步的键，R为H，--CO--CH.sub.3，--CO--C.sub.2 H.sub.5或--CO--C.sub.3 H.sub.7，它们作为香料的用途，以及一种制备3,6-二甲基-3-羟基-辛烷的方法。这些新化合物具有有趣的、主要为花香、木香、草本香和水果香调。公式I的醇类特别重要，因为它们作为一种新的、特别有利的方法的中间体，用于获得3,6-二甲基-3-羟基-辛烷，这是一种在肥皂和洗涤剂中作为香料需要大量使用的化合物。
• Synthesis of <i>E</i>-α,β-Unsaturated Ketones with Complete Stereoselectivity via Sequential Aldol-Type/Elimination Reactions Promoted by Samarium ­Diiodide or Chromium Dichloride
  作者：José Concellón、Humberto Rodríguez-Solla、Carmen Concellón、Pamela Díaz

  DOI：10.1055/s-2006-933146

  日期：——

  E-α,β-Unsaturated ketones can be obtained with complete E-selectivity by a sequential reaction of dichloroketones with a variety of aldehydes. This transformation was promoted by SmI2, SmI2 in the presence of FeCl3 or CrCl2. The best results were obtained when CrCl2 was used as the metallating agent. A mechanism based on a successive aldol-type reaction and a β-elimination is ­proposed to explain these results.

  通过二氯酮与各种醛的连续反应，可以得到具有完全E选择性的E-α,β-不饱和酮。 SmI2、SmI2 在 FeCl3 或 CrCl2 存在下促进了这种转化。当使用CrCl2作为金属化剂时获得了最好的结果。提出了基于连续羟醛型反应和β-消除的机制来解释这些结果。
• BICYCLIC HETEROCYCLIC COMPOUND
  申请人：Saito Tetsuji

  公开号：US20100137318A1

  公开（公告）日：2010-06-03

  A compound of a formula (I): wherein R 1 represents a C3-10 branched alkyl group which may be substituted; R 2 represents a hydrogen atom or a C1-4 alkyl group which may be substituted; R 3 represents a C1-4 alkyl group which may be substituted or a halogen atom; R 4 represents a C1-4 alkyl group which may be substituted; and ring 1 represents a cyclic group which has planarity and may have a substituent group, a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof, is useful as a medicinal component having CRF antagonistic activity for the prevention and/or treatment of a neuropsychiatric disease, a peripheral organ disease and the like.

  化合物的化学式（I）：其中R1代表一个C3-10支链烷基，可以被取代; R2代表氢原子或C1-4烷基，可以被取代; R3代表C1-4烷基，可以被取代或卤素原子; R4代表C1-4烷基，可以被取代; 环1表示具有平面性且可能具有取代基团的环状基团，其盐，其N-氧化物或其溶剂化物，或其前药，可用作具有CRF拮抗活性的药物成分，用于预防和/或治疗神经精神疾病，外周器官疾病等。

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