环己-1,3-二烯-1-羧酸 | 2206-65-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 环己-1,3-二烯-1-羧酸
• 英文名称: 2,3-dihydrobenzoic acid
• 英文别名: cyclohexa-1,3-dienecarboxylic acid；cyclohexa-1,3-diene-1-carboxylic acid；1,3-cyclohexadienoic acid；5,6-Dihydrobenzoesaeure；Δ^1.3-Dihydrobenzoesaeure；Cyclohexadien-(1,3)-carbonsaeure-(1)；Cyclohexa-1,3-diencarbonsaeure
• CAS: 2206-65-7
• 化学式: C₇H₈O₂
• 分子量: 124.139
• InChiKey: APGFPQCBDNWQSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  环己-1,3-二烯-1-羧酸 在 1-chloro-N,N,2-trimethylpropenylamine (Ghosez' reagent) 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 cyclohexa-1,3-dienecarboxylic acid chloride
  参考文献：
  名称：

  使用阳离子羰基铁络合物对碳水化合物进行官能化。

  摘要：

  使用两种不同方法，将阳离子羰基铁羰基环己二烯络合物用于未保护和受保护的甲基β-D-吡喃半乳糖苷的3-OH位置的衍生化，从而获得在该位置具有芳族或环己二酸官能度的吡喃半乳糖苷。

  DOI：

  10.1016/j.carres.2008.04.020
• 作为产物：
  描述：

  Ethyl 2-diethylamino-3-cyclohexen-1-carboxylate 在 溶剂黄146 、 potassium hydroxide 作用下， 生成 环己-1,3-二烯-1-羧酸
  参考文献：
  名称：

  Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels–Alder reaction

  摘要：

  Here we present a series of molecularly imprinted polymers capable of catalysing the Diels-Alder reaction between benzyl 1,3-butadienylcarbamate (1) and N,N-dimethyl acrylamide (2). The polymer systems studied here demonstrated an unusual cross-linker and temperature dependent behaviour, namely that polymer catalysis of the Diels-Alder reaction was lower at elevated temperature, in contrast to the solution reaction. Furthermore, not only was the catalytic activity significantly influenced by the choice of cross-linker, but in a similar fashion also the extent of the temperature effect, indicating a close relationship between catalysis and the observed inhibition. Molecular dynamics simulations of both the polymer systems studied were used to provide insight into the molecular background of transition state stabilisation, and differences in properties of the systems based on different cross-linkers. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.06.006

文献信息

• DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF
  申请人：UNIVERSITE DE STRASBOURG

  公开号：US20160221992A1

  公开（公告）日：2016-08-04

  The invention relates to dendritic compounds comprising a chelating, fluorochrome or recognition agent of formula (I), to compositions comprising same, and to uses thereof, wherein in said formula (I): T, L1, D, R, L2, V and n are as defined in the description.

  这项发明涉及包含式(I)的螯合、荧光染料或识别剂的树突化合物，以及包含这些化合物的组合物和它们的用途，其中在所述的式(I)中：T、L1、D、R、L2、V和n如描述中所定义。
• Photolytic induction of the asymmetric catalytic complexation of prochiral cyclohexa-1,3-dienes by the tricarbonyliron fragment1
  作者：Hans-Joachim Knölker、Holger Hermann、Daniela Herzberg

  DOI：10.1039/a901472a

  日期：——

  Photolytic induction of the asymmetric catalytic complexation of prochiral cyclohexa-1,3-dienes by the tricarbonyliron fragment using a camphor-derived azadiene catalyst provides the corresponding tricarbonyliron complexes quantitatively in up to 86% ee.

  通过使用冰片衍生的氮烯催化剂，三羰基铁片段能够光解诱导非对称催化复合前手性环己烯-1,3-二烯，定量地提供相应的三羰基铁复合物，最高对映体过量达到86%。
• [EN] PREPARATION OF PHENYL COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS PHÉNYLES
  申请人：NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO

  公开号：WO2017111598A1

  公开（公告）日：2017-06-29

  The invention relates to a method for preparing a compound comprising two phenyl groups by reacting a bisfuranic compound with a dienophile; and to such compounds.

  该发明涉及一种通过将双呋喃化合物与双烯酰亚胺反应来制备含有两个苯基的化合物的方法；以及这种化合物。
• [EN] SALTS OF NICOTINIC ACID AND NICOTINAMIDE AS ANTI-AGING AGENTS<br/>[FR] SELS D'ACIDE NICOTINIQUE ET DE NICOTINAMIDE EN TANT QU'AGENTS ANTI-ÂGE
  申请人：JUMPSTART FERTILITY PTY LTD

  公开号：WO2020028684A1

  公开（公告）日：2020-02-06

  The present invention relates to amino acid salts of nicotinic acid and nicotinamide and compositions thereof of Formula I, useful in the treatment of disorders and diseases associated with deficiencies in NAD+: (I) wherein J, M1, R1, and k are as described herein.

  本发明涉及烟酸和烟酰胺的氨基酸盐及其组合物，其化学式为I，用于治疗与NAD+缺乏相关的疾病和紊乱：（I）其中J、M1、R1和k如本文所述。
• PROCESS FOR PREPARATION OF N,N-DI SUBSTITUTED CARBOXAMIDES
  申请人：Rao Ambati Narasimha

  公开号：US20150126734A1

  公开（公告）日：2015-05-07

  The present disclosure relates to a single pot process for preparation of a N,N-di substituted carboxamide compounds of formula (I), said process comprising: reacting a carboxylic acid with a di-substituted carbamoyl chloride in presence of an organic tertiary base to obtain the N,N-di substituted carboxamide compounds of formula (I). The process of the present disclosure involves a simple step, and it is energy and time saving process for preparation of N,N-di substituted carboxamides.

  本公开涉及一种用于制备式(I)的N,N-二取代羧酰胺化合物的单锅过程，所述过程包括：在有机三级碱的存在下，将羧酸与二取代碳酰氯反应，以获得式(I)的N,N-二取代羧酰胺化合物。本公开的过程涉及一个简单步骤，是一种节约能源和时间的制备N,N-二取代羧酰胺的过程。