1-Butyl-4-(methanesulfonyl)benzene | 90877-86-4

• 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-Butyl-4-(methanesulfonyl)benzene
• 英文别名: 1-butyl-4-methylsulfonylbenzene
• CAS: 90877-86-4
• 化学式: C₁₁H₁₆O₂S
• 分子量: 212.313
• InChiKey: JDDMVQYOBAIHLE-UHFFFAOYSA-N

物化性质

• 沸点：
  347.2±25.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基磺酰氟 、 丁苯 在 三氯化铝 作用下， 反应 1.0h， 生成 1-Butyl-4-(methanesulfonyl)benzene 、 2-butylphenyl methyl sulfone
  参考文献：
  名称：

  Synthesis of Aryl Alkyl and Aryl Vinyl Sulfones via Friedel-Crafts Reactions of Sulfonyl Fluorides

  摘要：

  DOI：

  10.1055/s-1984-30774

文献信息

• NEW INHIBITORS OF BONE RESORPTION
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS)

  公开号：EP3553061A1

  公开（公告）日：2019-10-16

  The invention relates to a compound of formula (I): and its use as drug, in particular for use in prevention and/or treatment of disease-associated bone loss, preferably selected in the group consisting of bone metastases, multiple myeloma, osteoporosis, osteopenia due to bone metastases, osteogenesis imperfecta, periarticular erosions in rheumatoid arthritis, primary hyperparathyroidism, hypercalcemia of malignancy, Paget's disease of bone, periodontal disease, immobilization induced osteopenia, and glucocorticoid treatment.

  该发明涉及一种化合物，化学式为(I)，以及其作为药物的用途，特别是用于预防和/或治疗与疾病相关的骨质流失，优选选择在骨转移、多发性骨髓瘤、骨质疏松症、由骨转移引起的骨质疏松症、遗传性骨质疏松症、风湿性关节炎中的关节周围侵蚀、原发性甲状旁腺功能亢进症、恶性高钙血症、帕吉特病、牙周病、固定性骨质疏松症和糖皮质激素治疗等疾病中的应用。
• ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS
  申请人：——

  公开号：US20030166687A1

  公开（公告）日：2003-09-04

  The present invention provides a compound of formula (1), or pharmaceutical acceptable salts thereof wherein R1 is C4-12 alkyl, C4-12 alkenyl, C4-12 alkynyl, —(CH2)h-C3-8 cycloalkyl, substituted and unsubstituted —(CH2)h-aryl, substituted and unsubstituted-(CH2)h-het, R2 is substituted and unsubstituted C1-12 alkyl, substituted and unsubstituted C2-12 alkenyl, substituted and unsubstituted C2-12 alkynyl, substituted and unsubstituted-(CH2)h-C3-8 cycloakyl, substituted and unsubstituted —(CH2)h-C3-8 unsubstituted-(CH2)h-C3-8 cycloakyl, substituted and unsubstituted —(CH2)h-C3-8 cycloalkenyl, substituted and unsubstituted-(CH2)h-aryl, substituted and unsubstituted-(CH2)h-heterocyclic ring, substituted and unsubstituted —(CH2)i-X—R4 (X is —O—, —S(═O)j-, —NR7-, —S(═O)2NR8-, or —C(═O)—), and —(CH2)iCHR5R6. The compounds are inhibitors of matrix metalloproteinases involved in tissue degradation

  本发明提供了一种化合物，其化学式为（1），或其药物可接受的盐，其中R1为C4-12烷基，C4-12烯基，C4-12炔基，-(CH2)h-C3-8环烷基，取代和未取代的-(CH2)h-芳基，取代和未取代的-(CH2)h-杂环基，R2为取代和未取代的C1-12烷基，取代和未取代的C2-12烯基，取代和未取代的C2-12炔基，取代和未取代的-(CH2)h-C3-8环烷基，取代和未取代的-(CH2)h-C3-8未取代的-(CH2)h-C3-8环烷基，取代和未取代的-(CH2)h-C3-8环烯基，取代和未取代的-(CH2)h-芳基，取代和未取代的-(CH2)h-杂环环，取代和未取代的-(CH2)i-X-R4（X为—O—，—S(═O)j-，—NR7-，—S(═O)2NR8-，或—C(═O)—），以及-(CH2)iCHR5R6。这些化合物是参与组织降解的基质金属蛋白酶的抑制剂。
• OXIME COMPOUNDS AND THE USE THEREOF
  申请人：Matsumura Akira

  公开号：US20090298878A1

  公开（公告）日：2009-12-03

  The invention relates to oxime compounds of Formula (I) and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X is hydrogen, optionally substituted aryl, optionally substituted heteroaryl or the like; Y is CO, SO 2 , CR 3 R 4 or the like; Z is optionally substituted lower alkyl, optionally substituted aryl or the like; W is optionally substituted lower alkylene or optionally substituted lower alkenylene, R 3 and R 4 are each independently hydrogen, lower alkyl or the like; p is 0, 1, or 2 and q is 0, 1 or 2. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及式(I)的肟化合物及其药学上可接受的盐、前药或溶剂，其中X为氢、可选取代芳基、可选取代杂环基或类似物；Y为CO、SO2、CR3R4或类似物；Z为可选取代的低烷基、可选取代的芳基或类似物；W为可选取代的低烷基或可选取代的低烯基，R3和R4各自独立地为氢、低烷基或类似物；p为0、1或2，q为0、1或2。本发明还涉及使用式(I)的化合物来治疗、预防或改善对钙通道封锁有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• Organic Compounds
  申请人：Sandham David Andrew

  公开号：US20080312229A1

  公开（公告）日：2008-12-18

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R 1 , R 2 , R 4 , R 5 , R 6 , A, D, X, W, m and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据本发明，提供了化合物(I)的自由或盐形式，其中R1、R2、R4、R5、R6、A、D、X、W、m和n如说明书所述，以及制备它们的方法和它们作为药物的用途。
• OXYIMINO COMPOUNDS AND THE USE THEREOF
  申请人：Masui Moriyasu

  公开号：US20100240703A1

  公开（公告）日：2010-09-23

  The invention relates to oxyimino compounds of (Formula I), and pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein: Y is CO or SO m ; Z is hydrogen, each optionally substituted lower alkyl, lower alkenyl, aryl, heterocyclyl etc. R 1 and R 2 are each independently hydrogen, each optionally substituted lower alkyl, lower alkenyl, cycloalkyl, aryl, heterocyclyl etc., each X is independently ═O, optionally substituted lower alkyl, cyano, nitro etc., m is 1 or 2, p is O, 1 or 2 and q is O or 1. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式I的氧亚胺化合物及其药学上可接受的盐、前药和溶剂化合物，其中：Y为CO或SOm；Z为氢、每个可选择的取代较低的烷基、较低的烯基、芳香基、杂环基等。R1和R2分别独立地为氢、每个可选择的取代较低的烷基、较低的烯基、环烷基、芳香基、杂环基等，每个X独立地为═O、可选择的取代较低的烷基、氰基、硝基等，m为1或2，p为O、1或2，q为O或1。本发明还涉及使用公式I的化合物来治疗、预防或缓解对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。