sodium m-chlorophenoxide | 3046-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium m-chlorophenoxide
• 英文别名: sodium 3-chlorophenoxide；3-chloro-phenol; sodium salt；Natrium-(3-chlor-phenolat)；sodium 3-chlorophenolate；sodium meta-chlorophenolate；Sodium;3-chlorophenolate
• CAS: 3046-27-3
• 化学式: C₆H₄ClO*Na
• 分子量: 150.54
• InChiKey: JWYMWHGENDPLFG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.58
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  sodium m-chlorophenoxide 在 PdCl₂ complex on modified silca gel sodium tetrahydroborate 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 生成 sodium phenoxide
  参考文献：
  名称：

  Catalytic activity of metal complexes fixed on a solid support. 4. Hydrogenolysis of chlorobenzenes in the presence of palladium chloride complex deposited on modified silica gel

  摘要：

  DOI：

  10.1007/bf00951886
• 作为产物：
  描述：

  3-Chlorophenyl sulfate 在 alkaline phosphatase 作用下， 以 various solvent(s) 为溶剂， 生成 sodium m-chlorophenoxide
  参考文献：
  名称：

  Do Electrostatic Interactions with Positively Charged Active Site Groups Tighten the Transition State for Enzymatic Phosphoryl Transfer?

  摘要：

  The effect of electrostatic interactions on the transition-state character for enzymatic phosphoryl transfer has been a subject of much debate. In this work, we investigate the transition state for alkaline phosphatase (AP) using linear free-energy relationships (LIFERs). We determined k(cat)/K-M for a series of aryl sulfate ester monoanions to obtain the Bronsted coefficient, beta(lg)., and compared the value to that obtained previously for a series of aryl phosphorothioate ester dianion substrates. Despite the difference in substrate charge, the observed Bronsted coefficients for AP-catalyzed aryl sulfate and aryl phosphorothioate hydrolysis (-0.76 +/- 0.14 and -0.77 +/- 0.10, respectively) are strikingly similar, with steric effects being responsible for the uncertainties in these values. Aryl sulfates and aryl phosphates react via similar loose transition states in solution. These observations suggest an apparent equivalency of the transition states for phosphorothioate and sulfate hydrolysis reactions at the AP active site and, thus, negligible effects of active site electrostatic interactions on charge distribution in the transition state.

  DOI：

  10.1021/ja0480421

文献信息

• Studies on hypolipidemic agents. I. 3-Benzoylglycidic acid derivatives.
  作者：KAZUYUKI TOMISAWA、KAZUYA KAMEO、MASAMI GOI、KAORU SOTA

  DOI：10.1248/cpb.32.3066

  日期：——

  3-Benzoylglycidic acid derivatives were prepared and tested for hypolipidemic properties in normal rats. A structure-activity relationship study showed that trans-3-(phenoxybenzoyl)-glycidic acids have hypolipidemic activity. Among these compounds, trans-3-[4-(4-chlorophenoxy) benzoyl] glycidic acid (38) and trans-3-[4-(4-bromophenoxy) benzoyl] glycidic acid (39) possessed very potent activities.

  3-苯甲酰基甘油酸衍生物被制备并测试了其在正常大鼠中的降脂性能。结构-活性关系研究表明，反式-3-(苯氧基苯甲酰基)-甘油酸具有降脂活性。在这些化合物中，反式-3-[4-(4-氯苯氧基)苯甲酰基]甘油酸（38）和反式-3-[4-(4-溴苯氧基)苯甲酰基]甘油酸（39）具有非常强的活性。
• Synthesis and Biological Activity of 11-(4-(Cinnamyl)-1-piperazinyl)-6,11-dihydrodibenz(b,e)oxepin Derivatives, Potential Agents for the Treatment of Cerebrovascular Disorders.
  作者：Mikio KUROKAWA、Fuminori SATO、Yoshinobu MASUDA、Takayuki YOSHIDA、Yuko OCHI、Kayoko ZUSHI、Iwao FUJIWARA、Shunsuke NARUTO、Hitoshi UNO、Jun-ichi MATSUMOTO

  DOI：10.1248/cpb.39.2564

  日期：——

  A series of 11-[4-(cinnamyl)-1-piperazinyl]-6, 11-dihydrodibenz[b, e]oxepins and related compounds were synthesized and evaluated for their protective activities against complete ischemia, normobaric hypoxia, lipidperoxidation and convulsion. Structure-activity relationship studies of this series led to the finding of (E)-1-(3-fluoro-6, 11-dihydrodibenz[b, e]oxepin-11-yl)-4-(3-phenyl-2-propenyl)piperazine dimaleate (50), AJ-3941 with the most appropriate property for combined pharmacological activities.

  合成了一系列11-[4-（肉桂基）-1-哌嗪基]-6，11-二氢二苯并[b，e]氧芴及其相关化合物，并评价了它们对完全缺血、常压缺氧、脂质过氧化和惊厥的保护活性。通过对这一系列化合物的构效关系研究，发现了（E）-1-（3-氟-6，11-二氢二苯并[b，e]氧芑-11-基）-4-（3-苯基-2-丙烯基）哌嗪二马来酸盐（50），AJ-3941，它具有最适合的联合药理活性。
• Reactions of carbonyl compounds in basic solutions. Part 13. The mechanism of the alkaline hydrolysis of 3-(3-substituted phenoxy)phthalides, -3-methyl-phthalides, -3-phenylphthalides, naphthalides, -3-phenylnaphthalides, and phenanthralides, and of 3-substituted 3-methoxyphthalides
  作者：Fredrick Anvia、Keith Bowden、Faiq A. El Kaissi、Victoria Saez

  DOI：10.1039/p29900001809

  日期：——

  effects of substitution on the phenoxy esters have been assessed by means of, the Hammett equation. The results for the methyl esters are related to the steric effect of substituents using the Taft equation. All the pseudo-esters are hydrolysed with rate-determining attack by hydroxide anion at the carbonyl group, followed by rapid ring fission to form the carboxylate anion of the corresponding acid as the

  已经测量了在30.0和50.0°C下对3-（3-取代苯氧基）邻苯二甲酸酯，-3-甲基邻苯二甲酸酯，-3-苯基邻苯二甲酸酯，萘二甲酸酯，-3-苯基萘二甲酸酯和邻苯二甲酰胺进行碱水解的速率系数，伪-2-酰基苯甲酸甲酯在70％（v / v）的二恶烷水溶液中处于多个温度下。已经评估了激活的焓和熵。已经通过哈米特方程评估了取代对苯氧基酯的影响。使用Taft方程，甲酯的结果与取代基的空间效应有关。所有的拟酯均被羰基上的氢氧根阴离子水解，以决定速率的方式进行水解，然后迅速发生环裂变，形成相应酸的羧酸根阴离子。在六个系列的苯基假酯的整个范围内都没有显示出反应性-选择性。根据过渡态的结构以及影响反应性的空间，立体化学和极性因素讨论了这些结果。
• Mechanistic Study of Protein Phosphatase-1 (PP1), A Catalytically Promiscuous Enzyme
  作者：Claire McWhirter、Elizabeth A. Lund、Eric A. Tanifum、Guoqiang Feng、Qaiser I. Sheikh、Alvan C. Hengge、Nicholas H. Williams

  DOI：10.1021/ja803612z

  日期：2008.10.15

  the alkaline hydrolysis of 4NPMP that is similar to that of diesters with the same leaving group. For the enzymatic reaction of 4NPMP, the KIEs are indicative of a transition state that is somewhat looser than the alkaline hydrolysis reaction and similar to the PP1-catalyzed monoester reaction. The data cumulatively point to enzymatic transition states for aryl phosphate monoester and aryl methylphosphonate

  由蛋白质磷酸酶-1 (PP1) 催化的反应已通过线性自由能关系和动力学同位素效应进行了检查。对于底物 4-硝基苯基磷酸酯 (4NPP)，反应显示出 kcat/KM 的钟形 pH 速率曲线，表明酸性和碱性残基的催化作用，动力学 pKa 值为 6.0 和 7.2。一系列芳基单酯底物的酶促水解产生 -0.32 的 Brønsted beta(lg)，比单酯双阴离子的未催化水解 (-1.23) 的负值小得多。具有底物 4NPP 的离去基团中的动力学同位素效应为 (18)(V/K) 桥 = 1.0170 和 (15)(V/K) = 1.0010，与其他具有和不具有一般酸催化作用的酶促 KIE 相比，它们是与离去基团部分中和的松散过渡态一致。PP1 还有效地催化 4-硝基苯基甲基膦酸酯 (4NPMP) 的水解。一系列芳基甲基膦酸酯底物的酶促水解产生 -0.30 的 Brønsted beta(lg)，小于碱性水解
• 3-Loweralkylcarbamylsulfonamido-4-phenylaminopyridine-N-oxides,
  申请人：A. Christiaens Societe Anonyme

  公开号：US04018929A1

  公开（公告）日：1977-04-19

  This invention relates to new derivatives of pyridine having anti-inflammatory and diuretic properties. The new derivatives of pyridine may be represented by the following general formula: ##STR1## in which X represents an amino, C.sub.1 -C.sub.4 -alkylamino, oxy or thio group, R.sub.1 represents a group of the formula R.sub.3 NHCA (II), wherein A represents oxygen or sulfur, and R.sub.3 represents a C.sub.1 -C.sub.4 -alkyl, alkenyl, cycloalkyl, phenyl (which may be substituted) or R.sub.4 CO (III) group, R.sub.4 representing a phenyl group (which may be substituted), R.sub.2 represents hydrogen or a C.sub.1 -C.sub.4 alkyl group and Z represents a C.sub.1 -C.sub.4 -alkyl, methylfuryl, pyridyl or phenyl group (which may be substituted). This invention relates also to the N-oxides of the compounds of formula I, as well as to the acid and base addition salts of said compounds.

  本发明涉及具有抗炎和利尿特性的吡啶新衍生物。吡啶的新衍生物可以用以下通式表示：##STR1## 其中X代表氨基、C1-C4烷基氨基、氧或硫基团，R1代表公式R3NHCA (II)的基团，其中A代表氧或硫，R3代表C1-C4烷基、烯基、环烷基、苯基（可能被取代）或R4CO (III)基团，R4代表苯基（可能被取代），R2代表氢或C1-C4烷基，Z代表C1-C4烷基、甲基呋喃基、吡啶基或苯基（可能被取代）。本发明还涉及公式I化合物的N-氧化物，以及这些化合物的酸和碱加成盐。