3-(4-bromo-2,5-dimethylphenyl)propionic acid | 900027-21-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(4-bromo-2,5-dimethylphenyl)propionic acid
• 英文别名: 3-(4-Bromo-2,5-dimethylphenyl)propanoic acid
• CAS: 900027-21-6
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: ZQYYEXJSRABNGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-bromo-2,5-dimethylphenyl)propionic acid 在 ammonium hydroxide 、 sodium tetrahydroborate 、 lithium chloro-isopropyl-magnesium chloride 、 sodium azide 、 PPA 、 三氟化硼乙醚 、 对甲苯磺酸 、 臭氧 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 均三甲苯 、 苯 为溶剂， 反应 33.75h， 生成 椭圆玫瑰树碱
  参考文献：
  名称：

  Preparation of Polyfunctional Aryl Azides from Aryl Triazenes. A New Synthesis of Ellipticine, 9-Methoxyellipticine, Isoellipticine, and 7-Carbethoxyisoellipticine

  摘要：

  [GRAPHICS]The preparation of polyfunctional aryl azides by the reaction of aryl triazenes with NaN3 in the presence of KHSO4 or BF3 center dot OEt2/TFA (trifluoroacetic acid) has been described. A variety of functional groups (halides, esters, ketones, nitriles, aldehydes, and boronic esters) are tolerated under the Lewis acidic conditions. By using this methodology, the potent antitumor agents, ellipticine and 9-methoxyellipticine, have been synthesized. In addition, isoellipticine and a related derivative, 7-carbethoxyisoellipticine, were also prepared.

  DOI：

  10.1021/jo070774z
• 作为产物：
  描述：

  2-(4-bromo-2,5-dimethylbenzyl)malonic acid diethyl ester 在 氢氧化钾 、 硫酸 作用下， 以 水 为溶剂， 反应 25.0h， 以83%的产率得到3-(4-bromo-2,5-dimethylphenyl)propionic acid
  参考文献：
  名称：

  Preparation of Polyfunctional Aryl Azides from Aryl Triazenes. A New Synthesis of Ellipticine, 9-Methoxyellipticine, Isoellipticine, and 7-Carbethoxyisoellipticine

  摘要：

  [GRAPHICS]The preparation of polyfunctional aryl azides by the reaction of aryl triazenes with NaN3 in the presence of KHSO4 or BF3 center dot OEt2/TFA (trifluoroacetic acid) has been described. A variety of functional groups (halides, esters, ketones, nitriles, aldehydes, and boronic esters) are tolerated under the Lewis acidic conditions. By using this methodology, the potent antitumor agents, ellipticine and 9-methoxyellipticine, have been synthesized. In addition, isoellipticine and a related derivative, 7-carbethoxyisoellipticine, were also prepared.

  DOI：

  10.1021/jo070774z

文献信息

• 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：Giulio Matassa Victor

  公开号：US20110311485A1

  公开（公告）日：2011-12-22

  The present disclosure relates to 1, 2, 4 oxadiazole derivatives of formula (I) as well as pharmaceutical compositions comprising them, and their use in therapy as agonists of the S1P1 receptors.

  本公开涉及公式（I）的1,2,4-噁二唑衍生物，以及包含它们的药物组合物，以及它们作为S1P1受体激动剂在治疗中的使用。
• 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：Almirall S.A.

  公开号：EP2370431A1

  公开（公告）日：2011-10-05
• [EN] 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE<br/>[FR] DÉRIVÉS DE 1,2,4-OXADIAZOLE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：ALMIRALL SA

  公开号：WO2010072352A1

  公开（公告）日：2010-07-01

  New derivatives of general formula (I), or pharmaceutically acceptable salts or N- oxides thereof wherein,either (i) A is selected from the group consisting of -N-, -O- and -S-; B and C are independently selected from the group consisting of -N- and -O-, with the proviso that two of A, B and C are nitrogen atoms, or (ii) two of A, B and C are -N- and one of A, B and C is -NH-; G1 is selected from the group consisting of -CH2-, -NH- and -O-; G2 is selected from the group consisting of -NR4- and -O-; R1 represents: > a 8 to 10 membered bicyclic N-containing heteroaryl group optionally substituted with a C1-4 carboxyalkyl group or a C1-4 aminoalkyl group, > a pyridyl group optionally substituted with one or more substituents selected from hydroxy groups, C1-4 alkyl groups, C1-4 carboxyalkyl groups, C1-4 haloalkyl groups, C1-4 alkoxy groups, amino groups, C1-4 aminoalkyl groups and C1-4 aminoalkoxy groups, > a pyridone group substituted with one or more C1-4 alkyl groups; C1-4 haloalkyl groups or C1-4 aminoalkyl groups, or > a group of formula:
• Preparation of Polyfunctional Aryl Azides from Aryl Triazenes. A New Synthesis of Ellipticine, 9-Methoxyellipticine, Isoellipticine, and 7-Carbethoxyisoellipticine
  作者：Ching-Yuan Liu、Paul Knochel

  DOI：10.1021/jo070774z

  日期：2007.9.1

  [GRAPHICS]The preparation of polyfunctional aryl azides by the reaction of aryl triazenes with NaN3 in the presence of KHSO4 or BF3 center dot OEt2/TFA (trifluoroacetic acid) has been described. A variety of functional groups (halides, esters, ketones, nitriles, aldehydes, and boronic esters) are tolerated under the Lewis acidic conditions. By using this methodology, the potent antitumor agents, ellipticine and 9-methoxyellipticine, have been synthesized. In addition, isoellipticine and a related derivative, 7-carbethoxyisoellipticine, were also prepared.