3-(4-(BOC-哌嗪-1-羰基)苯硼酸 | 1218790-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-(4-(BOC-哌嗪-1-羰基)苯硼酸
• 中文别名: 3-(4-(BOC-哌嗪-1-羰基)苯基硼酸
• 英文名称: [3-(4-tert-butoxycarbonylpiperazine-1-carbonyl)phenyl]boronic acid
• 英文别名: (3-(4-(tert-Butoxycarbonyl)piperazine-1-carbonyl)phenyl)boronic acid；[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]boronic acid
• CAS: 1218790-82-9
• 化学式: C₁₆H₂₃BN₂O₅
• 分子量: 334.18
• InChiKey: ULYBKVRJSMFUJC-UHFFFAOYSA-N

物化性质

• 沸点：
  543.4±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330
• 危险性描述：
  H302,H315,H319

反应信息

• 作为反应物：
  描述：

  3-(4-(BOC-哌嗪-1-羰基)苯硼酸 、 tert-butyl 2-bromo-6-(2,6-dimethyl-4-pyridyl)-3-methylindole-1-carboxylate 在 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) 、 potassium acetate 、 sodium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.33h， 生成 tert-butyl 2-(3-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)phenyl)-6-(2,6-dimethylpyridin-4-yl)-3-methyl-1H-indole-1-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED INDOLE COMPOUNDS
  [FR] COMPOSÉS D'INDOLE SUBSTITUÉS

  摘要：

  The present disclosure relates generally to certain compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions provided herein may be used for the treatment or prevention of an autoimmune disease and/or inflammatory condition, including systemic lupus erythematosus and cutaneous lupus erythematosus.

  公开号：

  WO2022140326A1

文献信息

• Palladium-Catalyzed 1,1-Difunctionalization of Ethylene
  作者：Vaneet Saini、Matthew S. Sigman

  DOI：10.1021/ja304344h

  日期：2012.7.18

  The 1,1-difunctionalization of ethylene, with aryl/vinyl/heteroaryl transmetalating agents and vinyl electrophiles, is reported. The reaction is high-yielding under a low pressure of ethylene, and regioselectivity is generally high for the 1,1-disubstituted product. The process is highlighted by the use of heteroaromatic cross-coupling reagents, which have not been competent reaction partners in previously reported efforts.
• [EN] SUBSTITUTED INDOLE COMPOUNDS<br/>[FR] COMPOSÉS D'INDOLE SUBSTITUÉS
  申请人：[en]GILEAD SCIENCES, INC.

  公开号：WO2022140326A1

  公开（公告）日：2022-06-30

  The present disclosure relates generally to certain compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions provided herein may be used for the treatment or prevention of an autoimmune disease and/or inflammatory condition, including systemic lupus erythematosus and cutaneous lupus erythematosus.