methyl 4-bromo-2,5-difluorobenzenesulfonamide | 1055996-03-6

• 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: methyl 4-bromo-2,5-difluorobenzenesulfonamide
• 英文别名: 4-bromo-2,5-difluoro-N-methylbenzenesulfonamide；4-Bromo-2,5-difluoro-N-methylbenzene-1-sulfonamide
• CAS: 1055996-03-6
• 化学式: C₇H₆BrF₂NO₂S
• 分子量: 286.097
• InChiKey: VMFQIVZWHOZRQS-UHFFFAOYSA-N

物化性质

• 沸点：
  326.9±52.0 °C(Predicted)
• 密度：
  1.737±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-bromo-2,5-difluorobenzenesulfonamide 、 乙基苯 在 N-碘代丁二酰亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以28%的产率得到4-bromo-2,5-difluoro-N-(1-phenylethyl)benzenesulfonamide
  参考文献：
  名称：

  Halogen-Bond-Induced Consecutive C_sp³–H Aminations via Hydrogen Atom Transfer Relay Strategy

  摘要：

  The utilization of a halogen bond in a number of chemical fields is well-known. Surprisingly, the incorporation of this useful noncovalent interaction in chemical reaction engineering is rare. We disclose here an uncommon use of halogen bonding to induce intermolecular C-sp(3)-H amination while enabling a hydrogen atom transfer relay strategy to access privileged pyrrolidine structures directly from alkanes. Mechanistic studies support the presence of multiple halogen bond interactions at distinct reaction stages.

  DOI：

  10.1021/acs.orglett.0c00081
• 作为产物：
  描述：

  tert-butyl 4-bromo-2,5-difluorophenylsulfonyl(methyl)carbamate 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 4-bromo-2,5-difluorobenzenesulfonamide
  参考文献：
  名称：

  SULFONAMIDE COMPOUNDS AND THE USE

  摘要：

  提供以下式(1)的磺酰胺化合物，可用作预防或治疗包括骨质疏松症等骨疾病的CaSR拮抗剂的有效成分。这些化合物具有促进PTH分泌的卓越活性。此外，这些化合物还用作预防或治疗骨质疏松症、骨折、低甲状旁腺功能等骨疾病药物的有效成分。

  公开号：

  US20100022601A1

文献信息

• ARYL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR
  申请人：McComas Casey Cameron

  公开号：US20080221201A1

  公开（公告）日：2008-09-11

  In one embodiment, compounds of the following structure are described, wherein R 1 to R 7 are described herein. Also provided are methods for preparing these compounds and methods of contraception; treating or preventing fibroids; treating or preventing uterine leiomyomata; treating or preventing endometriosis, dysfunctional bleeding, and polycystic ovary syndrome; treating or preventing hormone-dependent carcinomas; providing hormone replacement therapy; stimulating food intake; synchronizing estrus; and treating cycle-related symptoms using the compounds described herein.

  在一个实施例中，描述了以下结构的化合物，其中R1到R7在此处描述。 还提供了制备这些化合物的方法以及避孕的方法；治疗或预防纤维瘤；治疗或预防子宫平滑肌瘤；治疗或预防子宫内膜异位症、功能性出血和多囊卵巢综合征；治疗或预防激素依赖性癌症；提供激素替代疗法；刺激食欲；同步发情；并使用此处描述的化合物治疗与周期相关的症状。
• 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases
  申请人：Hartmann Rolf

  公开号：US20100204234A1

  公开（公告）日：2010-08-12

  The invention relates to the use of non-steroidal 17beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment and prophylaxis of hormone-dependent, particularly estrogen-dependent, diseases. The invention further relates to suitable inhibitors and to a method for the production thereof.

  该发明涉及使用非甾体17β-羟基类固醇脱氢酶1抑制剂治疗和预防激素依赖性疾病，特别是雌激素依赖性疾病。该发明还涉及适当的抑制剂以及生产方法。
• Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor
  申请人：McComas Casey Cameron

  公开号：US20100204228A1

  公开（公告）日：2010-08-12

  In one embodiment, compounds of the following structure are described, wherein R 1 to R 7 are described herein. Also provided are methods for preparing these compounds and methods of contraception; treating or preventing fibroids; treating or preventing uterine leiomyomata; treating or preventing endometriosis, dysfunctional bleeding, and polycystic ovary syndrome; treating or preventing hormone-dependent carcinomas; providing hormone replacement therapy; stimulating food intake; synchronizing estrus; and treating cycle-related symptoms using the compounds described herein.

  在一种实施例中，描述了以下结构的化合物，其中R1到R7在此处描述。还提供了制备这些化合物的方法以及避孕方法；治疗或预防纤维瘤；治疗或预防子宫平滑肌瘤；治疗或预防子宫内膜异位症、功能性出血和多囊卵巢综合症；治疗或预防激素依赖性癌症；提供激素替代疗法；刺激食欲；同步发情；并使用此处描述的化合物治疗与周期相关的症状。
• Aryl sulfonamides useful for modulation of the progesterone receptor
  申请人：Wyeth LLC

  公开号：US07723332B2

  公开（公告）日：2010-05-25

  In one embodiment, compounds of the following structure are described, wherein R1to R7are described herein. Also provided are methods for preparing these compounds and methods of contraception; treating or preventing fibroids; treating or preventing uterine leiomyomata; treating or preventing endometriosis, dysfunctional bleeding, and polycystic ovary syndrome; treating or preventing hormone-dependent carcinomas; providing hormone replacement therapy; stimulating food intake; synchronizing estrus; and treating cycle-related symptoms using the compounds described herein.

  在一个实施例中，描述了以下结构的化合物，其中R1到R7在此处描述。还提供了制备这些化合物的方法和避孕方法；治疗或预防纤维瘤；治疗或预防子宫平滑肌瘤；治疗或预防子宫内膜异位症、功能性出血和多囊卵巢综合症；治疗或预防激素依赖性癌症；提供激素替代疗法；刺激食物摄入；同步发情；以及使用此处所描述的化合物治疗与周期相关的症状。
• SULFONAMIDE COMPOUND AND APPLICATION THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP2292592A1

  公开（公告）日：2011-03-09

  The sulfoneamide compounds having the following Formula (1), which can be used as an effective component of a CaSR antagonizing agent useful for prophylaxis and/or treatment of bone disorders including osteoporosis and etc., are provided. The compounds have an excellent activity of promoting PTH secretion. In addition, the compounds are useful as an effective component of a medicament for the prophylaxis and/or treatment of bone disorders such as osteoporosis, bone fracture, hypoparathyroidism and the like.

  本发明提供了具有下式（1）的砜酰胺化合物，可用作预防和/或治疗骨质疏松症等骨病的 CaSR 拮抗剂的有效成分。这些化合物具有良好的促进 PTH 分泌的活性。此外，这些化合物还可作为预防和/或治疗骨质疏松症、骨折、甲状旁腺功能减退症等骨病的药物的有效成分。