2-bromo-2-mesitylacetaldehyde | 1219828-99-5

• 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: 2-bromo-2-mesitylacetaldehyde
• 英文别名: 2-Bromo-2-(2,4,6-trimethylphenyl)acetaldehyde；2-bromo-2-(2,4,6-trimethylphenyl)acetaldehyde
• CAS: 1219828-99-5
• 化学式: C₁₁H₁₃BrO
• 分子量: 241.128
• InChiKey: IYSCNEUVNWMARL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  2-bromo-2-mesitylacetaldehyde 在 potassium carbonate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 生成 2-amino-5-mesityl-3,7-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Discovery of pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor

  摘要：

  A new class of pyrrolo[2,3-d]pyrimidin-4-one corticotropin-releasing factor 1 (CRF1) receptor antagonists has been designed and synthesized. In general, reported CRF1 receptor antagonists possess a sp(2)-nitrogen atom as hydrogen bonding acceptor (HBA) on their core scaffolds. We proposed to use a carbonyl group of pyrrolo[2,3-d]pyrimidin-4-one derivatives as a replacement for the sp(2)-nitrogen atom as HBA in classical CRF1 receptor antagonists. As a result, several pyrrolo[2,3-d]pyrimidin-4-one derivatives showed CRF1 receptor binding affinity with IC50 values in the submicromolar range. Ex vivo I-125-sauvagine binding studies showed that 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)-3,7-dihydro-4H-pyrrolo [2,3-d]pyrimidin-4-one (16b) (30 mg/kg, po) was able to penetrate into the brain and inhibit radioligand binding to CRF1 receptors (frontal cortex, olfactory bulb, and pituitary) in mice. We identified pyrrolo[2,3-d] pyrimidin-4-one derivatives as the first CRF1 antagonists with a carbonyl-based HBA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.086
• 作为产物：
  描述：

  2,4,6-三甲基苯基乙醛 在 三甲基溴硅烷 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 生成 2-bromo-2-mesitylacetaldehyde
  参考文献：
  名称：

  Discovery of pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor

  摘要：

  A new class of pyrrolo[2,3-d]pyrimidin-4-one corticotropin-releasing factor 1 (CRF1) receptor antagonists has been designed and synthesized. In general, reported CRF1 receptor antagonists possess a sp(2)-nitrogen atom as hydrogen bonding acceptor (HBA) on their core scaffolds. We proposed to use a carbonyl group of pyrrolo[2,3-d]pyrimidin-4-one derivatives as a replacement for the sp(2)-nitrogen atom as HBA in classical CRF1 receptor antagonists. As a result, several pyrrolo[2,3-d]pyrimidin-4-one derivatives showed CRF1 receptor binding affinity with IC50 values in the submicromolar range. Ex vivo I-125-sauvagine binding studies showed that 2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)-3,7-dihydro-4H-pyrrolo [2,3-d]pyrimidin-4-one (16b) (30 mg/kg, po) was able to penetrate into the brain and inhibit radioligand binding to CRF1 receptors (frontal cortex, olfactory bulb, and pituitary) in mice. We identified pyrrolo[2,3-d] pyrimidin-4-one derivatives as the first CRF1 antagonists with a carbonyl-based HBA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.086

文献信息

• LIGHT-EMITTING COMPOUND
  申请人：Cambridge Display Technology Limited

  公开号：US20150162551A1

  公开（公告）日：2015-06-11

  A phosphorescent compound of formula (I): wherein: M is a transition metal; L in each occurrence is independently a mono- or poly-dentate ligand; R 8 , R 9 , R 10 and R 11 are each independently H or a substituent; D 1 and D 2 are each independently a dendron; x is at least 1; y is 0 or a positive integer; z1 and z2 are each independently 0 or a positive integer; and n1 and n2 are each independently 0 or 1 with the proviso that at least one of n1 and n2 is 1. The compound may be a phosphorescent compound of an organic light-emitting device.

  化合物的磷光配合物公式（I）如下： 其中： M是过渡金属； L在每次出现时都是独立的单或多齿配体； R8、R9、R10和R11都是独立的H或取代基； D1和D2都是独立的树状分子； x至少为1； y为0或正整数； z1和z2都是独立的0或正整数； n1和n2都是独立的0或1，但至少有一个为1。 该化合物可以是有机发光器件的磷光化合物。
• 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Sterix Limited

  公开号：EP2257528A2

  公开（公告）日：2010-12-08
• COMPOSITION, AND LIGHT-EMITTING ELEMENT USING SAME
  申请人：Sumitomo Chemical Company Limited

  公开号：EP3023477B1

  公开（公告）日：2019-02-06
• COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160164008A1

  公开（公告）日：2016-06-09

  A composition is provided containing a first phosphorescent compound (DB) having an emission spectrum whose maximum peak wavelength is from 400 nm to less than 480 nm and having a dendron and a second phosphorescent compound (DGR) having an emission spectrum whose maximum peak wavelength is from 480 nm to less than 680 nm and having a dendron.
• US9929359B2
  申请人：——

  公开号：US9929359B2

  公开（公告）日：2018-03-27