1-bromo-3-(2-isocyanatopropan-2-yl)benzene | 64798-50-1

• 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: 1-bromo-3-(2-isocyanatopropan-2-yl)benzene
• 英文别名: m-bromo-α,α-dimethylbenzyl isocyanate
• CAS: 64798-50-1
• 化学式: C₁₀H₁₀BrNO
• 分子量: 240.099
• InChiKey: PGKOVGJCRNZALC-UHFFFAOYSA-N

物化性质

• 沸点：
  264.1±23.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,2,4-三甲基苯胺 、 1-bromo-3-(2-isocyanatopropan-2-yl)benzene 生成
  参考文献：
  名称：

  FR2362122

  摘要：

  公开号：
• 作为产物：
  描述：

  3-溴苯甲酸甲酯 在 盐酸 、 硫酸 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 1-bromo-3-(2-isocyanatopropan-2-yl)benzene
  参考文献：
  名称：

  Facile synthesis of the glucosylceramide synthase inhibitor GZ667161

  摘要：

  GZ667161 (GZ-161) is a quinuclidine-based small molecule inhibitor of the lysosomal enzyme glucosylceramide synthase. It represents an important tool molecule for studying the contribution of glycosphingolipids to disease pathology in lysosomal storage disorders such as Gaucher disease and GBA1 Parkinson's disease. GZ667161 is not commercially available. The published synthesis involves 6 steps and proceeds in 18% overall reported yield. As part of a drug discovery program targeting Type 2 Gaucher disease we required quantities of GZ667161 that would support animal studies. To facilitate the project, we devised and executed an efficient 4-step convergent synthesis of the compound. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2020.152352

文献信息

• Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Dyckman Alaric

  公开号：US20060106051A1

  公开（公告）日：2006-05-18

  The present invention provides for pyrazolopurine-based tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 3 , and R 6 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有以下式（I）的嘧啶嘧啶嘧啶基三环化合物，其中R1、R2、R3和R6如本文所述。本发明还提供包含这种化合物的药物组合物，以及利用这种化合物治疗炎症和免疫性疾病的用途。
• 3-(.alpha.,.alpha.-Dimethylbenzyl)urea compounds, compositions, and
  申请人：Showa Denko Kabushiki Kaisha

  公开号：US04143061A1

  公开（公告）日：1979-03-06

  A compound of the general formula (I): ##STR1## wherein X is halogen or trifluoromethyl, n and m are 0 or 1, R.sub.1 is lower C.sub.1 - C.sub.2 alkyl or C.sub.1 - C.sub.2 alkoxy and R.sub.2 is C.sub.4 - C.sub.5 alkyl, cyclohexyl, or phenyl, methods of the preparation thereof, herbicidal compositions containing same and a method for controlling weeds using the same.

  通式（I）的化合物：##STR1## 其中X是卤素或三氟甲基，n和m为0或1，R.sub.1是较低的C.sub.1 - C.sub.2烷基或C.sub.1 - C.sub.2烷氧基，R.sub.2为C.sub.4 - C.sub.5烷基、环己基或苯基，其制备方法，含有该化合物的除草剂组合物以及利用该组合物控制杂草的方法。
• Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Bristol-Myers Squibb Company

  公开号：US07456194B2

  公开（公告）日：2008-11-25

  The present invention provides for pyrazolopurine-based tricyclic compounds having the formula (I), wherein R1, R2, R3, and R6 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有以下式子（I）的以吡唑并嘧啶为基础的三环化合物，其中R1、R2、R3和R6如本文所述。本发明还提供了包含这种化合物的药物组合物，以及使用这种化合物治疗炎症和免疫疾病的方法。
• IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Bristol-Myers Squibb Company

  公开号：EP1833836B1

  公开（公告）日：2011-12-21
• US4143061A
  申请人：——

  公开号：US4143061A

  公开（公告）日：1979-03-06