p-toluene boric acid | 274251-50-2

• 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-toluene boric acid
• 英文别名: 4-Methylphenyl dihydrogen borate；(4-methylphenoxy)boronic acid
• CAS: 274251-50-2
• 化学式: C₇H₉BO₃
• 分子量: 151.958
• InChiKey: DQVXWCCLFKMJTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  282.5±33.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.34
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  p-toluene boric acid 在 1H-1,2,3-三氮唑 、 sodium azide 、 5%-palladium/activated carbon 、 四丁基醋酸铵 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 生成 4-hexyl-5-phenyl-1-(p-tolyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  在无溶剂条件下通过可重复使用的Pd / C催化剂通过1,2,3-三唑的C–H键官能化进行直接芳基化

  摘要：

  1,4,5-三取代的1,2,3-三唑和1,2,3-三唑稠合的异吲哚啉是通过在无溶剂条件下，在可回收的非均相存在下进行的可持续的Pd催化直接芳基化反应合成的催化剂。

  DOI：

  10.1002/ejoc.201901305
• 作为产物：
  描述：

  对甲酚 在 吡啶 、 磺酰氯 、 C₄₃H₄₃NO₃PPdS 、 sodium carbonate 作用下， 以 乙醚 、 氘代丙酮 为溶剂， 反应 8.0h， 生成 p-toluene boric acid
  参考文献：
  名称：

  钯催化芳基硼酸氯磺酰化合成芳基磺酰胺

  摘要：

  描述了一种用于制备磺酰胺的钯催化方法。该工艺表现出显着的官能团耐受性，并允许在温和条件下制备多种芳基磺酰氯和磺酰胺。

  DOI：

  10.1021/ja405949a

文献信息

• Cyclic compounds and uses thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06627651B1

  公开（公告）日：2003-09-30

  Compounds of general formula (1) R1—X1—W—X2—Z1—Z2—R2 or salts thereof, exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group represented by, e. g., general formula (2) (wherein A and B are each an optionally substituted five- to seven-membered ring; E1 and E4 are each optionally substituted carbon or the like; E2 and E3 are each oxygen or the like; and a and b are each a single bond or a double bond); X2 is a divalent group constituting a straight chain moiety; Z1 is a divalent cyclic group or the like; Z2 is a free valency or the like; and R2 is optionally substituted amino or the like.

  一般公式（1）的化合物 R1—X1—W—X2—Z1—Z2—R2 或其盐，具有预防治疗HIV传染性疾病的作用，其中R1是可选地取代的五至六元环基团；X1是自由价电子或类似物；W是二价基团，例如，由一般公式（2）表示 （其中A和B各自是可选地取代的五至七元环；E1和E4各自是可选地取代的碳或类似物；E2和E3各自是氧或类似物；a和b各自是单键或双键）；X2是构成直链部分的二价基团；Z1是二价环状基团或类似物；Z2是自由价电子或类似物；R2是可选地取代的氨基或类似物。
• Tetracyclic compound having lateral halogen substituent and liquid crystal composition comprising the same
  申请人：Chisso Corporation

  公开号：US06174458B1

  公开（公告）日：2001-01-16

  A tetracyclic compound expressed by the following general formula (1) wherein H1 to H12 represent hydrogen atom at least one of which is replaced by a halogen atom, when either H6 or H8 is replaced by a halogen atom, at least one of the remaining hydrogen atoms is replaced by a halogen atom; R1 and Y1 independently represent an alkyl group, alkoxy group, or alkoxyalkyl group having 1 to 20 carbon atoms, or an alkenyl group having 2 to 20 carbon atoms, one or more methylene group in R1 and Y1 may be replaced by oxygen atom, sulfur atom, dihydrosilylene group, dimethylsilylene group, —CH═CH—, or —C≡C—; and X1, X2, and X3 independently represent a covalent bond, 1,2-ethylene group, or 1,4-butylene group; and a novel liquid crystal composition comprising the tetracyclic compound and having, at the same time, a wide temperature range of a nematic phase, high optical anisotropy, and high chemical stability.

  一种四环化合物，其由以下通用公式（1）表示，其中H1到H12代表氢原子，其中至少一个被卤素原子取代，当H6或H8中的一个被卤素原子取代时，其余氢原子中至少有一个被卤素原子取代；R1和Y1分别代表具有1至20个碳原子的烷基基团、烷氧基团或烷氧基烷基团，或具有2至20个碳原子的烯基基团，R1和Y1中的一个或多个亚甲基基团可被氧原子、硫原子、二氢硅基基团、二甲基硅基基团、—CH═CH—或—C≡C—取代；X1、X2和X3分别表示共价键、1,2-乙烯基团或1,4-丁烯基团；以及一种新型液晶组合物，包括该四环化合物，同时具有宽的向列相温度范围、高的光学各向异性和高的化学稳定性。
• New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20040242572A1

  公开（公告）日：2004-12-02

  The present invention relates to carboxamide compounds of general formula I 1 wherein the groups and residues A, B, W, X, Y, Z, R 1 , R 2 , R 3 and k have the meanings given in claim 1. Moreover the invention relates to process for preparing the above mentioned carboxamides as well as pharmaceutical compositions containing at least one carboxamide according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I1的羧酰胺化合物，其中A、B、W、X、Y、Z、R1、R2、R3和k的基团和残基具有权利要求1中所给出的含义。此外，本发明还涉及制备上述羧酰胺化合物的方法，以及含有本发明所述至少一种羧酰胺的制药组合物。基于它们的MCH受体拮抗活性，本发明的制药组合物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症、暴食症、厌食症、暴食症和糖尿病。
• Ccr4 antagonist and medical use thereof
  申请人：Habashita Hiromu

  公开号：US20060004010A1

  公开（公告）日：2006-01-05

  A compound of formula (I) or a salt thereof, and medical use thereof (the symbols in the formula are as described in the specification). The compound of formula (I) has CCR4 antagonistic activity, and therefore is useful as a preventive and/or therapeutic agent for diseases associated with CCR4, i.e., CCR4-mediated diseases such as inflammatory and/or allergic diseases [e.g., systemic inflammatory response syndrome (SIRS), anaphylaxis or anaphylaxis-like reaction, allergic vasculitis, reject reaction for graft organ, hepatitis, nephritis, nephrosis, pancreatitis, rhinitis, arthritis, inflammatory ocular diseases, inflammatory bowel diseases, diseases in cerebro and/or circulatory system, respiratory diseases, dermatic diseases, autoimmune diseases, etc.], and the like.

  化合物式（I）或其盐，并且其医疗用途（式中的符号如说明书所述）。化合物式（I）具有CCR4拮抗活性，因此可用作预防和/或治疗CCR4相关的疾病的药物，即CCR4介导的疾病，例如炎症和/或过敏性疾病[例如全身炎症反应综合征（SIRS），过敏性休克或类似休克反应，过敏性血管炎，移植器官排斥反应，肝炎，肾炎，肾病综合征，胰腺炎，鼻炎，关节炎，炎症性眼部疾病，炎症性肠病，大脑和/或循环系统疾病，呼吸系统疾病，皮肤疾病，自身免疫性疾病等]等。
• Substituted thiophene derivative and agricultural and horticultural
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US05747518A1

  公开（公告）日：1998-05-05

  The substituted thiophene derivative of the invention which is represented by the general formula (1) has a broad disease spectrum for a pathogenic fungus of various crops, exhibits an excellent controlling effect on disease such as gray mold, powdery mildew and rust in particular, and is also effective for a resistant fungus of conventional fungicides which has become a serious problem, and consequently is useful for an agricultural and horticultural fungicide. ##STR1##

  发明中代表通式（1）的取代噻吩衍生物具有广泛的病原真菌病谱，对各种作物的灰霉病、白粉病和锈病等疾病表现出优异的控制效果，同时对于传统杀菌剂的耐药真菌也具有良好的效果，因此可用作农业和园艺杀菌剂。 ##STR1##