p-tolyl methoxyformate | 1848-01-7

• 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: p-tolyl methoxyformate
• 英文别名: p-tolyl methyl carbonate；methyl p-tolyl carbonate；Methyl p-kresylcarbonat；Kohlensaeure-methyl-p-tolylester；4-methylphenyl methyl carbonate；Carbonic acid, methyl 4-methylphenyl ester；methyl (4-methylphenyl) carbonate
• CAS: 1848-01-7
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: FLSOKBQNISCLMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2920909090

反应信息

• 作为反应物：
  描述：

  p-tolyl methoxyformate 以 氘代乙腈 为溶剂， 反应 40.0h， 生成 乙基对甲苯基碳酸酯
  参考文献：
  名称：

  On the reactivity of imidazole carbamates and ureas and their use as esterification and amidation reagents

  摘要：

  The optimization, substrate scope, and mechanism of esterification and amidation of carboxylic acids mediated by imidazole-based reagents are discussed. The innate reactivity of carbonylimidazole reagents with a range of nucleophiles is also explored. New reagents developed for the synthesis of alpha,beta-unsaturated esters are described, as are reagents for the preparation of tertiary amides directly from carboxylic acids. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.057
• 作为产物：
  描述：

  甲醇 、 氯甲酸对甲苯 生成 p-tolyl methoxyformate
  参考文献：
  名称：

  Yew, Kyoung Han; Koh, Han Joong; Lee, Hai Whang, Journal of the Chemical Society. Perkin transactions II, 1995, # 12, p. 2263 - 2268

  摘要：

  DOI：

文献信息

• Light-induced synthesis of unsymmetrical organic carbonates from alcohols, methanol and CO₂ under ambient conditions
  作者：Sandhya Saini、Nand Kishor Gour、Shafiur Rehman Khan、Ramesh Chandra Deka、Suman L Jain

  DOI：10.1039/d1cc05833a

  日期：——

  The present work describes the first visible light-assisted, metal-free and organic base 1,1,3,3-tetramethyl guanidine (TMG) mediated synthesis of unsymmetrical methyl aryl/alkyl carbonates from the reaction of alcohols, methanol, and CO2 in high to excellent yields under atmospheric pressure and ambient temperature conditions.

  目前的工作描述了第一个可见光辅助、无金属和有机碱 1,1,3,3-四甲基胍 (TMG) 介导的由醇、甲醇和 CO 2的反应合成的不对称甲基芳基/碳酸烷基酯在大气压和环境温度条件下以高到极好的收率。
• Ketene acetals from thermolysis of aryloxy methoxy oxadiazolines. Evidence for carbonyl ylide intermediates
  作者：Philippe Couture、Manal El-Saidi、John Warkentin

  DOI：10.1139/v97-037

  日期：1997.3.1

  sequence of thermolysis of oxadiazolines, namely, initial cycloreversion to N2 and carbonyl ylide (6), rather than concerted fragmentation to N2, acetone, and carbene (12). The first-formed ylide does fragment to carbene and acetone in a second step that competes with oxirane formation. A tentative mechanism for reaction of 7 with 12, to afford 11, is advanced. Keywords: carbonyl ylide, dioxy oxirane

  恶二唑啉 (5) 在 110 °C 下在苯中的热解导致乙烯酮缩醛 (11) 作为次要产物。羰基叶立德中间体 (6) 和环氧乙烷 (7)，大概与这些叶立德处于平衡状态，被认为是乙烯酮缩醛的不稳定前体，尽管没有一种环氧乙烷（羰基保护的 α-内酯）是可分离的，只有一种乙烯酮缩醛以纯形式可分离。证据指向恶二唑啉热解的两步序列，即初始环转化为 N2 和羰基叶立德 (6)，而不是协同裂解为 N2、丙酮和卡宾 (12)。在与环氧乙烷形成竞争的第二步中，第一形成的叶立德确实断裂成卡宾和丙酮。提出了 7 与 12 反应得到 11 的初步机制。关键词：羰基叶立德，二氧环氧乙烷，乙烯酮缩醛，
• C,N-chelated organotin(IV) compounds as catalysts for transesterification and derivatization of dialkyl carbonates
  作者：Tomáš Weidlich、Libor Dušek、Barbora Vystrčilová、Aleš Eisner、Petr Švec、Aleš Růžička

  DOI：10.1002/aoc.2858

  日期：2012.6

  The potential catalytic activity of selected C,N‐chelated organotin(IV) compounds (e.g. halides and trifluoroacetates) for derivatization of both dimethyl carbonate (DMC) and diethyl carbonate (DEC) was investigated. Some tri‐, di‐ and monoorganotin(IV) species (LCN(n‐Bu)2SnCl (1), LCN(n‐Bu)2SnCl.HCl (1a), LCN(n‐Bu)2SnI (2), LCNPh2SnCl (3), LCNPh2SnI (4), LCN(n‐Bu)SnCl2 (5), LCNSnBr3 (6) and [LCNS

  研究了所选的C，N螯合的有机锡（IV）化合物（例如卤化物和三氟乙酸盐）对碳酸二甲酯（DMC）和碳酸二乙酯（DEC）的潜在催化活性。一些三，二和单有机锡（IV）物种（L CN（n- Bu）2 SnCl（1），L CN（n- Bu）2 SnCl.HCl（1a），L CN（n- Bu）2 SnI （2），L CN Ph 2 SnCl（3），L CN Ph 2 SnI（4），L CN（n- Bu）SnCl 2（5），LCN SNBR 3（6）和[L CN的Sn（OC（O）CF 3）] 2（μ-O）（μ-OC（O）CF 3）2（7））的轴承将L CN部分（L CN  =评估了2-（N，N-二甲基氨基甲基）苯基-）作为DMC和DEC与各种取代苯胺反应的催化剂。研究了4和7对对位取代苯酚DMC衍生化的催化活性，以与标准碱K 2 CO 3进行比较。/ Silcarbon K835催化剂（催化剂8）。通过多
• [EN] COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION<br/>[FR] COMPOSITIONS ET PROCÉDÉS ASSOCIÉS À LA CONJUGAISON MOLÉCULAIRE
  申请人：INTOCELL INC

  公开号：WO2021111185A1

  公开（公告）日：2021-06-10

  The invention relates to activated Michael acceptor (AMA) compounds that can undergo conjugation with biomolecules containing Michael donor moieties, thereby providing plasma-stable antibody-drug conjugates (ADCs). Pharmaceutical compositions of the ADCs are disclosed as well. Also provided herein are a number of applications (e.g., therapeutic applications) in which the compositions are useful.

  这项发明涉及可以与含有Michael供体基团的生物分子发生共轭反应的活化Michael受体（AMA）化合物，从而提供稳定的血浆抗体药物偶联物（ADCs）。还公开了ADCs的药物组合物。本文还提供了一些应用（例如治疗应用），其中这些组合物是有用的。
• [EN] NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS<br/>[FR] NOUVEAUX DERIVES DE PYRIDINONE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTERIQUES POSITIFS DES RECEPTEURS MGLUR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006030032A1

  公开（公告）日：2006-03-23

  The present invention relates to novel compounds, in particular novel pyridinone derivat ives according to Formula (I) X R1 N Y (I) R2 R3 wherein all radicals are defined in the application. The compounds according to the invention are positive allosteric modulators of metabotropic receptors - subt ype 2 ('mGluR2') which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新化合物，特别是根据式（I）X R1 N Y（I）R2 R3定义的新吡啶酮衍生物。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，对于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体的mGluR2亚型的疾病具有用处。特别是，这些疾病是从焦虑、精神分裂症、偏头痛、抑郁症和癫痫等中枢神经系统障碍组中选择的。该发明还涉及制备此类化合物和组合物的药物组合物和过程，以及利用这类化合物预防和治疗涉及mGluR2的这类疾病。