4-ethyl-3-methylcyclohex-2-enone | 16735-13-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-ethyl-3-methylcyclohex-2-enone
• 英文别名: 4-ethyl-3-methyl-cyclohex-2-enone；4-Aethyl-3-methyl-cyclohex-2-enon；3-Methyl-4-ethyl-Δ²-cyclohexenon；3-Methyl-4-aethyl-2-cyclohexen-1-on；3-Methyl-4-ethyl-cyclohexen-(2)-on；4-ethyl-3-methylcyclohex-2-en-1-one
• CAS: 16735-13-0
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: ULLGCIMWPNBMOT-UHFFFAOYSA-N

物化性质

• 沸点：
  110 °C(Press: 20 Torr)
• 密度：
  0.910±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  4-ethyl-3-methylcyclohex-2-enone 生成 methyl-3 ethyl-4 cyclohexanone trans
  参考文献：
  名称：

  Pons,A. et al., Bulletin de la Societe Chimique de France, 1979, vol. , p. 381 - 387

  摘要：

  DOI：
• 作为产物：
  描述：

  4-ethyl-3-methylanisole 生成 4-ethyl-3-methylcyclohex-2-enone
  参考文献：
  名称：

  Pons,A. et al., Bulletin de la Societe Chimique de France, 1979, vol. , p. 381 - 387

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE UTILISABLES EN TANT QUE MODULATEURS DE L'ACTIVITÉ TNF
  申请人：UCB PHARMA SA

  公开号：WO2014009295A1

  公开（公告）日：2014-01-16

  A series of imidazo[l,2-a]pyridine derivatives of formula (I), being potent modulators of human TNFa activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

  一系列式(I)的咪唑并[1,2-a]吡啶衍生物，作为人类TNFa活性的有效调节剂，因此在治疗和/或预防各种人类疾病方面具有益处，包括自身免疫和炎症性疾病；神经学和神经退行性疾病；疼痛和伤害感知性疾病；心血管疾病；代谢性疾病；眼科疾病；以及肿瘤学疾病。
• Asymmetric Approach toward Chiral Cyclohex-2-enones from Anisoles via an Enantioselective Isomerization by a New Chiral Diamine Catalyst
  作者：Jung Hwa Lee、Li Deng

  DOI：10.1021/ja308623n

  日期：2012.11.7

  A 3-step asymmetric approach toward the optically active chiral cyclohex-2-enones from anisoles has been developed. The crucial asymmetric induction step is an unprecedented catalytic enantioselective isomerization of β,γ-unsaturated cyclohex-3-en-1-ones to the corresponding α,β-unsaturated chiral enones. This new asymmetric transformation was realized by cooperative iminium-base catalysis with an

  开发了一种从苯甲醚制备光学活性手性环己-2-烯酮的三步不对称方法。关键的不对称诱导步骤是β,γ-不饱和环己-3-en-1-酮前所未有的催化对映选择性异构化为相应的α,β-不饱和手性烯酮。这种新的不对称转化是通过亚胺基催化与电子可调的新型有机催化剂的协同实现的。(-)-异棘花醛的对映选择性全合成凸显了该方法的合成效用。
• Kotschetkow; Gottich, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 1324,1326; engl. Ausg. S. 1297, 1299
  作者：Kotschetkow、Gottich

  DOI：——

  日期：——
• E FFECTS OF P REHOSPITAL N ITROGLYCERIN ON H EMODYNAMICS AND C HEST P AIN I NTENSITY
  作者：Steven Engelberg、Adam J. Singer、Janice Moldashel、Joseph Sciammarella、Henry C. Thode、Mark Henry

  DOI：10.1080/10903120090940967

  日期：2000.1

  Objective: To assess the effects of prehospital nitroglycerin (NTG) on vital signs and chest pain intensity. Methods: A retrospective review of advanced life support (ALS) run sheets was performed in a suburban volunteer emergency medical services (EMS) system receiving 8,000 annual ALS calls. All consecutive patients who were administered NTG by EMS were included. Standardized forms were used to collect data on patient demographics, history, and physical exam. Patients assessed their chest pain (CP) before and after NTG on a verbal numeric scale of 0-10 from least to most severe. The presence of syncope, dysrhythmias, or profound hypotension [loss of peripheral pulses, a systolic blood pressure (SBP) of <90 mm Hg after NTG, or a drop of >100 mm Hg in BP] was noted. Results. One thousand six hundred sixty-two patients received NTG over 18 months, their mean age was 66 years, and 48% were female. Indications for NTG included CP (83%), dyspnea (45%), and congestive heart failure (20%). After NTG administration, the CP score decreased from 6.9 to 4.4 (mean difference = 2.6; 95% CI = 2.4 to 2.8). The CP completely resolved in 10% of the patients. Mean decreases in SBPs and diastolic BPs were 11.8 mm Hg (95% CI = 10.7 to 13.0) and 4.0 mm Hg (95% CI = 2.9 to 5.1). The mean pulse rate increased by 2.7 beats/min (95% CI = 0.6 to 4.9). There were 12 patients with adverse events [0.7% (95% CI = 0.4% to 1.3%)], including profound bradycardia and hypotension (1), transient drop in SBP of 100 mm Hg responding to fluids (6), post-NTG SBP <90 mm Hg (4), and syncope (1). There were no deaths in the prehospital setting. Conclusions: Use of prehospital NTG appears safe. While NTG reduces CP, most patients have residual pain.
• Decombe, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1937, vol. 205, p. 680
  作者：Decombe

  DOI：——

  日期：——