4-chloro-2,6-dimethylbenzaldehyde | 6045-90-5

• 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-chloro-2,6-dimethylbenzaldehyde
• CAS: 6045-90-5
• 化学式: C₉H₉ClO
• mdl: MFCD11846957
• 分子量: 168.623
• InChiKey: GRVCMDLDRVEOSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-chloro-2,6-dimethylbenzaldehyde 在 sodium hypobromide 、 羟胺 、 亚磷酸三乙酯 作用下， 反应 2.0h， 生成 4-chloro-2,6-dimethylbenzonitrile
  参考文献：
  名称：

  Kubota, Tanekazu; Hiramatsu, Sadaaki; Kano, Kenji, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 10, p. 3830 - 3839

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-2,6-甲基溴代苯 在 盐酸 、 碘 、 magnesium 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 4-chloro-2,6-dimethylbenzaldehyde
  参考文献：
  名称：

  PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS

  摘要：

  该发明涉及一种多阶段工艺，用于通过将2,6-二烷基溴苯与（1）镁，（2）甲酰胺，（3）酸，（4）氢化所得的苯甲醛，（5）激活所得的苄醇，（6）活化苄醇的氰化和（7）水解所得的腈来制备通式（I）的2,6-二烷基苯乙酸。

  公开号：

  US20210403406A1

文献信息

• Synthesis of Arylacetates from Benzylic Alcohols and Oxalate Esters through Decarboxylative Coupling
  作者：Matthias F. Grünberg、Lukas J. Gooßen

  DOI：10.1002/chem.201301033

  日期：2013.6.3

  Follow that dream: By combining a reversible transesterification between benzylic alcohols and dialkyl oxalates with catalytic decarboxylation of the resulting esters, a regiospecific CC‐bond‐forming reaction to give α‐arylacetates was achieved. In the overall process, CO2 and a volatile alcohol are the only byproducts. Various α‐arylacetates were thus synthesized in high yields from easily accessible

  遵循这个梦想：通过与所得到的酯的催化脱羧，一个区域专一Ç苄醇和草酸二烷基酯之间的酯交换反应的可逆结合 C-键形成反应，实现以得到α-arylacetates。在整个过程中，CO 2和挥发性醇是唯一的副产物。因此，在催化量的Pd（OAc）2，dppp和DABCO的存在下，由易于获得的起始原料以高收率合成了各种α-芳基乙酸酯（参见方案）。
• Certain alkylene diamine-substituted pyrazlo (1,5-a)-1,5-pyrimidines and pyrazolo (1,5-a) 1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US06372743B1

  公开（公告）日：2002-04-16

  Disclosed are compounds of the formula: where R1, R2, R3, R4, R5, R6, and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  揭示了以下化合物的结构：其中R1、R2、R3、R4、R5、R6和X的定义如下。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗多种中枢神经系统疾病、代谢性疾病和外周疾病方面具有用途，尤其是在治疗进食障碍和高血压方面。还提供了治疗此类疾病的方法以及包装的药物组合。发明的化合物还可用作NPY1受体定位的探针和NPY1受体结合测定中的标准。给出了使用这些化合物进行受体定位研究的方法。
• Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US06476038B1

  公开（公告）日：2002-11-05

  Disclosed are compounds of the formula: where R1, R2, R3, R4, R5, R6, and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  揭示了以下公式的化合物：其中R1、R2、R3、R4、R5、R6和X在此处定义。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗许多中枢神经系统疾病、代谢性疾病和外周疾病方面具有用途，尤其是在治疗进食障碍和高血压方面。还提供了治疗这些疾病的方法以及包装的药物组合物。发明的化合物还可用作NPY1受体定位的探针，以及NPY1受体结合测定的标准。给出了在受体定位研究中使用这些化合物的方法。
• Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines
  申请人：Neurogen Corporation

  公开号：US20030069246A1

  公开（公告）日：2003-04-10

  Disclosed are compounds of the formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and X are defined herein. These compounds are selective modulators of NPY1 receptors. These compounds are useful in the treatment of a number of CNS disorders, metabolic disorders, and peripheral disorders, particularly eating disorders and hypertension. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of NPY1 receptors and as standards in assays for NPY1 receptor binding. Methods of using the compounds in receptor localization studies are given.

  本发明揭示了以下化合物的公式：1其中R1、R2、R3、R4、R5、R6和X在此定义。这些化合物是NPY1受体的选择性调节剂。这些化合物在治疗许多中枢神经系统疾病、代谢性疾病和外周疾病，特别是进食障碍和高血压方面非常有用。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作NPY1受体定位的探针，以及在NPY1受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• Selenium analogues of rintodestrant (G1T48) as potent estrogen receptor modulators and downregulators
  作者：Edgars Paegle、Pavels Dimitrijevs、Pavel Arsenyan

  DOI：10.1039/d3nj01739g

  日期：——

  against cancer. Nowadays, selective estrogen receptor modulators (SERMs) and downregulators (SERDs) are used as the first-line medical treatment for estrogen receptor positive (ER+) tumors. Herein we report the design and synthesis of 7 novel benzoselenophenes, and their ER-α binding activity and cytotoxicity. The TR-FRET competitive ER-α binding experiments have shown that (E)-3-(4-((6-hydroxy-2-(4-hyd

  靶向治疗是对抗癌症的现代方向之一。如今，选择性雌激素受体调节剂（SERM）和下调剂（SERD）被用作雌激素受体阳性（ER+）肿瘤的一线治疗方法。在此，我们报告了 7 种新型苯并硒吩的设计和合成，及其 ER-α 结合活性和细胞毒性。TR-FRET竞争性ER-α结合实验表明，( E )-3-(4-((6-羟基-2-(4-羟基苯甲酰基)苯并[ b ]硒酚-3-基)氧基)苯基)丙烯酸酸 ( 21b ) 是一种比广为人知的 SERM 药物雷洛昔芬 (IC 50 = 1.78 nM)更有效的 ER-α 结合剂 ( IC 50 = 0.44 nM)。此外，21b和其他获得的硒类似物对大鼠成肌细胞（H9C2）没有毒性，表明取代的苯并[ b ]硒酚是开发用于治疗 ER+ 癌症的 ER-α 调节剂和下调剂的前瞻性支架。