1-(氯甲基)-3-[(三氟甲基)硫基]苯 | 215732-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(氯甲基)-3-[(三氟甲基)硫基]苯
• 英文名称: 3-<(trifluoromethyl)thio>benzyl chloride
• 英文别名: 3-trifluoromethyl-sulfanylbenzyl chloride；3-(Trifluoromethylthio)benzyl chloride；1-(chloromethyl)-3-(trifluoromethylsulfanyl)benzene
• CAS: 215732-90-4
• 化学式: C₈H₆ClF₃S
• mdl: MFCD00792422
• 分子量: 226.65
• InChiKey: DMFKZZXVNAKILD-UHFFFAOYSA-N

物化性质

• 沸点：
  183.8±40.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  1-(氯甲基)-3-[(三氟甲基)硫基]苯 在 sodium iodide 、 diborane(6) 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 20.5h， 生成 2-<3-<(trifluoromethyl)thio>phenyl>ethylamine
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012
• 作为产物：
  描述：

  3-(三氟甲硫基)苯甲醇 在 氯化亚砜 作用下， 反应 18.0h， 生成 1-(氯甲基)-3-[(三氟甲基)硫基]苯
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012

文献信息

• Azetidine derivatives, their preparation and medicaments containing them
  申请人：——

  公开号：US20020035102A1

  公开（公告）日：2002-03-21

  The invention concerns compounds of formula (1) wherein: R represents a chain (A) or (B); R 1 is methyl or ethyl; R 2 is either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R 3 and R 4 , identical or different, are either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R′ represents a hydrogen atom or a —CO—alk radical, their optical isomers, their salts, their preparation and medicines containing them. 1

  本发明涉及通式(1)的化合物，其中：R代表链(A)或(B)；R1是甲基或乙基；R2是可任选取代的芳香环或可任选取代的杂芳香环；R3和R4，相同或不同，是可任选取代的芳香环或可任选取代的杂芳香环；R′代表氢原子或—CO—烷基，它们的光学异构体，它们的盐，它们的制备方法以及含有它们的药物。
• Acetindine derivatives, their preparation and medicaments containing them
  申请人：——

  公开号：US20030162808A1

  公开（公告）日：2003-08-28

  Disclosed are azetidine derivatives of formula: 1 their optical isomers, their salts, their preparation and medicaments containing them.

  本发明涉及一种公开的式（1）的氮杂环丙烷衍生物，其光学异构体，其盐，其制备方法以及含有它们的药物。
• AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM
  申请人：Achard Daniel

  公开号：US20060270649A1

  公开（公告）日：2006-11-30

  Disclosed are azetidine derivatives of formula: their optical isomers, their salts, their preparation and medicaments containing them.

  本发明涉及一种式子为的氮杂环丙烷衍生物，包括其光学异构体、其盐、其制备方法以及含有它们的药物。
• Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment
  申请人：Bondy S. Steven

  公开号：US20070244148A1

  公开（公告）日：2007-10-18

  The present invention relates to a pharmaceutical composition for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general formula (Z): The invention also relates to processes for the preparation of compounds according to the invention having above mentioned general formula and their use as a medicine or to treat or prevent viral infections.

  本发明涉及一种用于治疗或预防病毒感染的药物组合物，其包含至少一种具有以下通式（Z）的咪唑[4,5-c]吡啶前药作为活性成分：本发明还涉及制备符合上述通式的化合物的方法以及它们作为药物或用于治疗或预防病毒感染的用途。
• IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT
  申请人：Bondy Steven S.

  公开号：US20100028301A1

  公开（公告）日：2010-02-04

  The present invention relates to pharmaceutical compositions for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general Formula (A) wherein the substituents are described in the specification. The invention also relates to processes for the preparation and screening of compounds according to the invention having above mentioned general Formula and their use in the treatment or prophylaxis of viral infections.

  本发明涉及一种制备用于治疗或预防病毒感染的药物组合物，其包含至少一种咪唑并[4,5-c]吡啶前药作为活性成分，其通式为（A），其中取代基在规范中描述。该发明还涉及根据上述通式制备和筛选化合物的方法以及它们在治疗或预防病毒感染中的应用。