4-benzylbenzamide | 92199-30-9

• 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: 4-benzylbenzamide
• CAS: 92199-30-9
• 化学式: C₁₄H₁₃NO
• 分子量: 211.263
• InChiKey: BGTIIRYHWGADFD-UHFFFAOYSA-N

物化性质

• 熔点：
  200-218 °C(Solv: acetic acid, 75% (64-19-7))
• 沸点：
  381.2±21.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-benzylbenzamide 在 phosphorus pentoxide 作用下， 生成 4-苄基苯甲腈
  参考文献：
  名称：

  Benzylbenzaldoxime¹

  摘要：

  DOI：

  10.1021/ja01333a051
• 作为产物：
  描述：

  4-苯甲酰苯甲酸 在 盐酸 、 ammonium hydroxide 、 氯化亚砜 、 amalgamated zinc 、 甲苯 作用下， 生成 4-benzylbenzamide
  参考文献：
  名称：

  para-Alkylation of Benzoyldurene by the Grignard Reagent

  摘要：

  DOI：

  10.1021/ja01241a021

文献信息

• METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS
  申请人：Breit Bernhard

  公开号：US20100305352A1

  公开（公告）日：2010-12-02

  A method for the production of optically active α-alkylcarbonyl compounds with retention of the stereo information of the starting compound. The starting compound used here is a carbonyl compound which has, in the α-position, a leaving group which is substituted by an alkyl group with inversion of the configuration. The substitution of the leaving group is effected with the use of an alkylmagnesium Grignard and a zinc (II) salt or a zinc organyl. The method permits the production of optically active α-alkylcarbonyl compounds at very mild temperatures (for example 0° C.) with the use of starting compounds which are easy to prepare and economical and nontoxic catalysts, it also being possible to achieve a very high yield.

  一种生产具有保留起始化合物立体信息的光学活性α-烷基羰基化合物的方法。这里使用的起始化合物是一种具有α-位置上的离去基团的羰基化合物，该离去基团被一个烷基团取代，并且立体构型发生倒转。通过使用烷基镁格氏试剂和锌（II）盐或锌有机基进行离去基团的取代。该方法允许在非常温和的温度条件下（例如0°C）生产光学活性的α-烷基羰基化合物，使用易于制备和经济实惠的起始化合物以及无毒的催化剂，同时也可以获得很高的产率。
• Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors
  申请人：——

  公开号：US20030045557A1

  公开（公告）日：2003-03-06

  The invention provides 1,3,4-thiadiazoles and 1,3,4-oxadiazoles having the following Formula I: 1 in which, Y is S or O, R 1 is alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, cycloalkenyl, aryl, heteroaryl or a polycyclic group, optionally substituted, R 2 is alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, cycloalkenyl or aryl optionally substituted, R 3 is X 2 —R′ 3 , in which X 2 is a binding group and R′ 3 is cycloalkyl, heterocycloalkyl, cycloalkenyl, aryl, heteroaryl, or a polycyclic group; optionally substituted, or their pharmaceutically acceptable derivatives, a compound of Formula I, for their preparation, and processes for pharmaceutical compositions containing methods of using the compounds for the treatment of disorders for which a treatment by a PDE7 inhibitor is relevant.

  该发明提供具有以下式I的1,3,4-噻二唑和1,3,4-氧二唑：其中，Y为S或O，R1为烷基、烯烃基、炔烃基、环烷基、杂环烷基、环烯基、芳基、杂芳基或多环基，可选地取代，R2为烷基、烯烃基、炔烃基、环烷基、杂环烷基、环烯基或芳基，可选地取代，R3为X2—R′3，其中X2为结合基团，R′3为环烷基、杂环烷基、环烯基、芳基、杂芳基或多环基；可选地取代，或其药学上可接受的衍生物，式I的化合物，用于它们的制备，以及含有该化合物的制药组合物的处理方法，用于治疗需要通过PDE7抑制剂进行治疗的疾病。
• Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them
  申请人：Rossi Cristina

  公开号：US20080207694A1

  公开（公告）日：2008-08-28

  Compounds of structure (I) having histone deacetylase (HDAC) inhibitor activity are described. The compounds are chemically characterised by the presence of hydroxamic acid, with zinc as chelator, and an aromatic nucleus connected by a linker in which either a bicyclic aromatic system or a piperidino ring are present.

  结构（I）的化合物具有组蛋白去乙酰化酶（HDAC）抑制剂活性。这些化合物在化学上特征为存在羟肟酸，锌作为螯合剂，并且通过连接剂连接的芳香核与一个双环芳香系统或哌啶环存在。
• CBP/CATENIN ANTAGONISTS FOR ENHANCING ASYMMETRIC DIVISION OF SOMATIC STEM CELLS
  申请人：Kahn Michael

  公开号：US20150232468A1

  公开（公告）日：2015-08-20

  Provided are: composition and methods for: treating aging or an age-related condition, symptom or disease; stimulating hair growth, regrowth or pigmentation (or preventing hair loss); for increasing the expression of an adenosine receptor in dermal cells (in combination with hair growth); for treating a condition or disease of the skin or at least one symptom thereof, including cosmetic treatment (e.g., wrinkles, hyperpigmentation, redness, rosacea, dryness, cracking, loss of firmness, loss of elasticity, thinning, and loss of vibrance). The methods comprise administering a sufficient amount of the disclosed CBP/catenin (e.g., CBP/ B -catenin) antagonist compositions, and particularly wherein administration is in an amount and manner sufficient to provide for increasing the number of asymmetric renewing divisions relative to, or at the expense of symmetric divisions in relevant somatic stem cell population. In particular aspects, the CBP/catenin (e.g., CBP/ B -catenin) antagonist comprises an alkyl and/or fatty acid ester derivative thereof as disclosed herein.

  提供的是：用于治疗衰老或与年龄相关的病症、症状或疾病的组合物和方法；刺激头发生长、再生或色素沉着（或预防脱发）；增加皮肤细胞中腺苷酸受体的表达（与头发生长相结合）；用于治疗皮肤病或其中至少一种症状的条件或疾病，包括美容治疗（例如皱纹、色素沉着、发红、酒渣鼻、干燥、龟裂、松弛、弹性下降、变薄和失去活力）。该方法包括给予足够量的揭示的CBP/β-连环素（例如CBP/B-连环素）拮抗剂组合物，特别是在足够的量和方式下给予，以提高与相关体细胞干细胞群体对称分裂相对或代价的非对称更新分裂数量。在特定方面，CBP/β-连环素（例如CBP/B-连环素）拮抗剂包括其烷基和/或脂肪酸酯衍生物，如本文所述。
• Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof
  申请人：AJINOMOTO CO. INC

  公开号：US20040002521A1

  公开（公告）日：2004-01-01

  The present invention provides an NF-kappa B activation inhibitor, an inflammatory cytokine production inhibitor, a matrix metalloprotease production inhibitor, an inflammatory cell adhesion factor expression inhibitor, and an anti-inflammatory agent, an antirheumatic agent, an immuno-suppressive agent, an antiallergic agent, an antiviral agent, or a therapeutic agent for arteriosclerosis, which comprise, as the active ingredient, a cyclopropanecarboxylic acid amide compound or a pharmaceutically acceptable salt thereof effective for the treatment of inflammatory diseases.

  本发明提供了一种NF-kappa B激活抑制剂、炎性细胞因子产生抑制剂、基质金属蛋白酶产生抑制剂、炎性细胞黏附因子表达抑制剂、以及一种抗炎药、抗风湿药、免疫抑制剂、抗过敏药、抗病毒药或动脉粥样硬化治疗剂，其包括作为活性成分的环丙烷羧酸酰胺化合物或其药学上可接受的盐，用于治疗炎症性疾病。