1,3-环己二烯-1-甲醛 | 1121-54-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 中文名称: 1,3-环己二烯-1-甲醛
• 英文名称: 1,3-Cyclohexadiene-1-carbaldehyde
• 英文别名: 1-formyl-1,3-cyclohexadiene；cyclohexa-1,3-dienecarbaldehyde；Cyclohexa-1,3-diencarbaldehyd；Δ^1,3-Dihydrobenzaldehyd；1-Formyl-1,3-cyclohexadien；2,3-Dihydro-benzaldehyd；Cyclohexa-1,3-diene-1-carbaldehyde
• CAS: 1121-54-6
• 化学式: C₇H₈O
• 分子量: 108.14
• InChiKey: LQXUYPKOOOUVJB-UHFFFAOYSA-N

物化性质

• 沸点：
  77-79 °C(Press: 20 Torr)
• 密度：
  1.0175 g/cm3
• 保留指数：
  1184

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2912299000

反应信息

• 作为反应物：
  描述：

  1,3-环己二烯-1-甲醛 在 sodium tetrahydroborate 、 sodium hydride 作用下， 以 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 生成 cyclohexa-1,3-dien-1-ylmethyl acetate
  参考文献：
  名称：

  Botica,I.; Mirrington,R.N., Australian Journal of Chemistry, 1971, vol. 24, p. 1467 - 1480

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium acetate 作用下， 生成 1,3-环己二烯-1-甲醛
  参考文献：
  名称：

  Wichterle; Hudlicky, Collection of Czechoslovak Chemical Communications, 1947, vol. 12, p. 572,578

  摘要：

  DOI：

文献信息

• Substituted Cyclohexadienals - Syntheses and Applications
  申请人：Watanabe Coran M. H.

  公开号：US20070232813A1

  公开（公告）日：2007-10-04

  The present invention is generally directed to the use of L-proline and certain derivatives thereof to catalyze the asymmetric self-condensation of α,β-unsaturated aldehydes to form homodimer and heterodimer cyclohexadienals. Reaction conditions are mild and yet amenable to a variety of different substrates yielding molecules with complex scaffolds from simple precursors. This approach allows for diversification and synthesis of this structural class of compounds in sufficient quantity, purity and enantioselectivity for, e.g., biological investigations and use as fluorescent probes, anti-cancer agents, anti-bacterial agents, and/or anti-fungal agents. The present invention is also generally directed to the cyclohexadienals produced.

  本发明通常涉及利用L-脯氨酸及其某些衍生物催化α,β-不饱和醛进行不对称自缩合，形成同二聚体和杂二聚体环己二烯醛。反应条件温和，且适用于多种不同的底物，从简单的原料生成具有复杂支架的分子。这种方法允许以足够的数量、纯度和对映选择性多样化合成这类结构的化合物，例如用于生物学研究以及作为荧光探针、抗癌剂、抗菌剂和/或抗真菌剂。本发明还一般涉及所生产的环己二烯醛。
• Die Pyrolyse von (+)-Verbenen
  作者：Alan F. Thomas、B. Willhalm、G. Ohloff

  DOI：10.1002/hlca.19690520510

  日期：——

  The pyrolysis of verbenene has been found to give rise to 39% of isobutenylcyclohexa-1,3-diene (3), 29% of o-mentha-1 (7),5,8-triene (2) together with two double bond-isomers (4 and 5) of the cyclohexadiene (3). The structures were proved by catalytic reduction to the saturated hydrocarbons, and isobutenylcyclohexa-1,3-diene was synthesized from 2,3-dihydrobenzaldehyde.

  已发现马鞭草的热解可产生39％的异丁烯基环己-1,3-二烯（3），29％的o -mentha-1（7），5,8-三烯（2）和两个双键-环己二烯（3）的-异构体（4和5）。通过催化还原成饱和烃证明了结构，并由2,3-二氢苯甲醛合成了异丁烯基环己-1,3-二烯。
• 1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Chen Rong

  公开号：US20140364443A1

  公开（公告）日：2014-12-11

  Disclosed are 1,4-dihydro-naphthyridine derivatives and pharmaceutical composition and uses thereof. The 1,4-dihydro-naphthyridine derivatives are a compound capable of inhibiting acetylcholinesterase activity and preventing extracellular calcium from flowing into a cell via a calcium channel, i.e., having a dual-activity, which are of potential importance as a pharmaceutical and can be used to prepare the drugs for treating cardiovascular diseases, cerebrovascular diseases and dementia.

  本文披露了1,4-二氢-萘啶衍生物及其药物组合物和用途。1,4-二氢-萘啶衍生物是一种能够抑制乙酰胆碱酯酶活性并通过钙通道阻止细胞外钙流入细胞的化合物，即具有双重活性，对于制备用于治疗心血管疾病、脑血管疾病和痴呆症的药物具有潜在重要性。
• [EN] 5-ARYL-THIAZOL-2-YL-AMINE COMPOUNDS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS 5-ARYL-THIAZOL -2-YL-AMINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：CHARLES MARK DAVID

  公开号：WO2015025172A1

  公开（公告）日：2015-02-26

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 5-aryl-thiazol-2-yl-amine compounds of the following formula (I) (for convenience, collectively referred to herein as "5AT2A compounds"), which, inter alia, inhibit LIM kinase (LIMK) activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit LIMK activity, and in the treatment of diseases and conditions that are mediated by LIMK, that are ameliorated by the inhibition of LIMK activity, etc., including proliferative conditions such as cancer (e.g., breast cancer, prostate cancer, melanoma, glioma, etc.), as well as vasodilation (including, e.g., hypertension, angina, cerebral vasospasm, and ischemia following subarachnoid hemorrhage), neurodegenerative disorders, atherosclerosis, fibrosis, and inflammatory diseases (including, e.g., Crohn's disease and chronic obstructive pulmonary disease (COPD)), and glaucoma (also known as ocular hypertension). (Formula (I))

  本发明一般涉及治疗化合物领域，更具体地涉及以下式(I)的某些5-芳基噻唑-2-基胺化合物（为方便起见，以下统称为“5AT2A化合物”），其中，这些化合物等抑制LIM激酶（LIMK）活性。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物，无论是体外还是体内，来抑制LIMK活性，并在治疗由LIMK介导的疾病和症状中发挥作用，这些疾病和症状通过抑制LIMK活性得到改善，等等，包括增生性疾病，如癌症（例如乳腺癌、前列腺癌、黑色素瘤、胶质瘤等），以及血管舒张（包括高血压、心绞痛、脑血管痉挛以及蛛网膜下腔出血后的缺血），神经退行性疾病、动脉粥样硬化、纤维化和炎症性疾病（包括克罗恩病和慢性阻塞性肺病（COPD）等），以及青光眼（也称为眼压增高）。
• Exploiting Long-Lived Molecular Fluorescence
  作者：Werner M. Nau、Fang Huang、Xiaojuan Wang、Huseyin Bakirci、Gabriela Gramlich、Cesar Marquez

  DOI：10.2533/000942903777679424

  日期：——

  Fluorophores based on the azo chromophore 2,3-diazabicyclo[2.2.2]oct-2-ene, referred to as fluorazophores, display an exceedingly long fluorescence lifetime. Besides the use in time-resolved screening assays, where the long-lived fluorescence can be time-gated, thereby improving the signal to background ratio, a distinct application of fluorazophores lies in the area of biopolymer dynamics. For this purpose, one chain end is labeled with a fluorazophore and the other one with an efficient fluorescence quencher. The fluorescence lifetime of the probe/quencher-labeled peptide then reflects the kinetics of intramolecular end-to-end collision. Applications to polypeptides are described and control experiments which establish the nature of the quenching mechanism as a diffusive process requiring intimate probe/quencher contact are described.

  基于偶氮基团2,3-二氮杂双环[2.2.2]辛-2-烯的荧光团被称为荧光偶氮基团（fluorazophores），显示出极长的荧光寿命。除了在时间分辨筛选分析中的应用，其中长寿命荧光可以进行时间分隔，从而提高信号与背景比，荧光偶氮基团的另一个明显应用领域是生物聚合物动力学。为此，一端标记有荧光偶氮基团，另一端标记有高效荧光猝灭剂。然后，探针/猝灭剂标记的肽的荧光寿命反映了分子内端对端碰撞的动力学。描述了对多肽的应用以及建立熄灭机制性质的对照实验，这些实验表明这是一个需要亲密的探针/猝灭剂接触的扩散过程。