carbamic acid-(4-methyl-benzyl ester) | 54850-42-9

• 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: carbamic acid-(4-methyl-benzyl ester)
• 英文别名: Carbamidsaeure-(4-methyl-benzylester)；(4-Methyl-benzyl)-carbamat；Pmethylbenzylcarbamate；(4-methylphenyl)methyl carbamate
• CAS: 54850-42-9
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: UAIBMGNCDUKHRT-UHFFFAOYSA-N

物化性质

• 沸点：
  331.9±21.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  carbamic acid-(4-methyl-benzyl ester) 在 tetraphosphorus decasulfide 作用下， 以 甲苯 为溶剂， 反应 2.5h， 以77%的产率得到4-甲基苄基硫醇
  参考文献：
  名称：

  五硫化二磷介导的初级氨基甲酸酯转化为硫醇

  摘要：

  在本文中，我们报告了一种在回流甲苯中在五硫化二磷 (P2S5) 存在下将伯氨基甲酸酯转化为硫醇的方法。目前，文献中不存在将氨基甲酸酯转化为硫醇的方法，据我们所知，这是此类转化的第一份报告。该方法提供了通过其氨基甲酸酯衍生物将醇转化为硫醇的间接途径，其可用于含有硫醇官能团的化合物的全合成。

  DOI：

  10.1055/s-0036-1589026
• 作为产物：
  描述：

  N-甲氨基甲酰氯 、 (4-甲基苯基)甲醇 在 乙醚 作用下， 生成 carbamic acid-(4-methyl-benzyl ester)
  参考文献：
  名称：

  DE448694

  摘要：

  公开号：

文献信息

• Process for production of 2,5 dioxopyrrolidine 3 carboxylate
  申请人：Tanaka Daisuke

  公开号：US20110190497A1

  公开（公告）日：2011-08-04

  The present invention provides a novel intermediate which enable to prepare tetrahydropyrrolo[1,2-a]pyrazin-4-spiro-3′-pyrrolidine derivatives such as Ranirestat being promising therapeutic agents for diabetic complications in a short process and in an economically advantageous and safe manner, and a process for preparing the same. That is, the present invention provides a process for preparing a compound of the following formula (I) wherein R 1 is an amino group protected with a protecting group, etc., and R 2 is a lower alkyl group, etc., comprising the following steps (1) and (2): (1) a step of converting a cyano group in a compound of the following formula (II) wherein n and m are each independently 0 or 1; provided when n is 0 and m is 1, then R 2 and R 3 are the same or different protecting groups for a carboxyl group; and when n is 1 and m is 0, then R 2 and R 3 are the same protecting groups for a carboxyl group; and R 1 is as defined above, into a carbamoyl group in the presence of divalent palladium compound(s), primary amide(s) and water; and (2) a step of cyclizing the product obtained in the step (1).

  本发明提供了一种新型的中间体，能够以简短的过程、经济上可行且安全的方式制备四氢吡咯[1,2-a]吡嗪-4-螺-3'-吡咯烷衍生物，例如Ranirestat，这是一种对糖尿病并发症有治疗前景的药物，以及一种制备该中间体的方法。即，本发明提供了一种制备如下公式(I)化合物的方法，其中R1是带有保护基团的氨基，R2是低级烷基等，包括以下步骤(1)和(2)：(1)将如下公式(II)化合物中的腈基转换为氨基甲酰基的步骤，其中n和m各自独立地为0或1；当n为0且m为1时，R2和R3是相同的或不同的羧基保护基团；当n为1且m为0时，R2和R3是羧基的相同保护基团；R1如上所述，该步骤中存在二价钯化合物、一级酰胺和水；(2)将步骤(1)中得到的产物环化的步骤。
• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS LIGANDS PEPTIDIQUES BICYCLIQUES ET LEURS UTILISATIONS
  申请人：BICYCLERD LTD

  公开号：WO2019034866A1

  公开（公告）日：2019-02-21

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• Quantitative structure-activity relationships of anticonvulsant aralkyl and alkyl carbamates.
  作者：MITSUYO TANAKA、KAZUYOSHI HORISAKA、CHISAKO YAMAGAMI、NARAO TAKAO、TOSHIO FUJITA

  DOI：10.1248/cpb.33.2403

  日期：——

  A series of aralkyl and alkyl carbamates of the type R1OCONR2R3 (R1=alkyl or aralkyl, R2, R3=H, Me, Et) were prepared and tested for anticonvulsant activity in mice by means of the maximal electroshock seizure test. The ED50 values were analyzed in terms of hydrophobic (log P), electronic (σ1) and other parameters by regression analysis. The results are essentially the same as those for previously studied m-and p-substituted benzyl N, N-dimethylcarbamates (X-C6H4-CH2OCONMe2). The activity depended parabolically on log P with an optimum log P of 1.7, and was negatively correlated with σ1. It was also found that the potency is reduced when R1 is an alkyl group or includes a hydrogen-bonding group. Structural requirements for the optimal potency and the aromatic ring contribution to the activity are discussed.

  一系列类型为 R1OCONR2R3（R1=烷基或芳香烷基，R2、R3=氢、甲基、乙基）的芳烷基和烷基氨基甲酸酯被合成并通过最大电击惊厥测试在小鼠中测试其抗惊厥活性。ED50 值通过回归分析在疏水性 (log P)、电子性 (σ1) 和其他参数的基础上进行了分析。结果与之前研究的 m-和 p-取代苯基 N,N-二甲基氨基甲酸酯 (X-C6H4-CH2OCONMe2) 的结果基本相同。活性与 log P 呈抛物线关系，最佳 log P 为 1.7，并与 σ1 负相关。还发现，当 R1 为烷基或包含氢键结合基时，活性降低。讨论了最佳活性的结构要求以及芳香环对活性的贡献。
• FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES
  申请人：Braun Christoph

  公开号：US20140349848A1

  公开（公告）日：2014-11-27

  The present invention provides fungicidal 4-substituted-3-phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadiazol-5(4H)-one derivatives of formula (I) wherein A represents a pyridyl or thiazole group and X1, Y1 to Y5 represent independently different substituents.

  本发明提供了式（I）的杀真菌4-取代-3- 苯基 [（杂环甲氧基）亚胺]甲基} -1,2,4-噁唑-5（4H）-酮衍生物，其中A代表吡啶基或噻唑基，X1，Y1至Y5分别代表不同的取代基。
• 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0799823A1

  公开（公告）日：1997-10-08

  Compounds of formula (I) and (II): [in which R is hydrogen, halogen or alkyl; R1 is alkyl, amino or substituted amino; R2 is optionally substituted phenyl; R3 is hydrogen, halogen or optionally substituted alkyl; R4 is hydrogen, optionally substituted alkyl, cycloalkyl, aryl, or aralkyl] have valuable analgesic, anti-inflammatory, anti-pyretic and anti-allergic activities and have the ability to inhibit the production of leukotrienes and to inhibit bone resorption. They are relatively free from the side effects which generally result from the administration of compounds having these kinds of activities.

  式(I)和(II)化合物： [其中 R 是氢、卤素或烷基；R1 是烷基、氨基或取代氨基；R2 是任选取代的苯基；R3 是氢、卤素或任选取代的烷基；R4 是氢、任选取代的烷基、环烷基、芳基或芳烷基]具有重要的镇痛、消炎、解热和抗过敏活性，并能抑制白三烯的生成和抑制骨吸收。它们相对来说没有副作用，而副作用通常是由服用具有此类活性的化合物引起的。