3-chloro-1-isopropoxybenzene | 51241-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-chloro-1-isopropoxybenzene
• 英文别名: m-chloro-isopropoxybenzene；1-Chloro-3-(propan-2-yloxy)benzene；1-chloro-3-propan-2-yloxybenzene
• CAS: 51241-42-0
• 化学式: C₉H₁₁ClO
• mdl: MFCD20390264
• 分子量: 170.639
• InChiKey: AFWVPEIKHRWQMM-UHFFFAOYSA-N

物化性质

• 沸点：
  217.6±13.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(methoxymethoxy)benzaldehyde 、 3-chloro-1-isopropoxybenzene 在 仲丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 环己烷 为溶剂， 反应 1.5h， 以75%的产率得到(2-chloro-6-isopropoxyphenyl)-(2-methoxymethyloxyphenyl)methanol
  参考文献：
  名称：

  Solvent-Controlled Leaving-Group Selectivity in Aromatic Nucleophilic Substitution

  摘要：

  A solvent-controlled inversion of leaving group ability allows selective access to either of two internal substitution products in SNAr reactions of substrates with competing leaving groups. Application of this principle in a selective synthesis of the highly functionalized xanthone core of the antibiotic FD-594 is presented.

  DOI：

  10.1021/ol801962a
• 作为产物：
  描述：

  3-氯苯酚 、 2-溴丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以82%的产率得到3-chloro-1-isopropoxybenzene
  参考文献：
  名称：

  Solvent-Controlled Leaving-Group Selectivity in Aromatic Nucleophilic Substitution

  摘要：

  A solvent-controlled inversion of leaving group ability allows selective access to either of two internal substitution products in SNAr reactions of substrates with competing leaving groups. Application of this principle in a selective synthesis of the highly functionalized xanthone core of the antibiotic FD-594 is presented.

  DOI：

  10.1021/ol801962a

文献信息

• FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION
  申请人：Kusakabe Ken-ichi

  公开号：US20120059162A1

  公开（公告）日：2012-03-08

  Provided are a compound represented by general formula (1) and having a TTK inhibitory action and a medicine containing the compound. In formula (1), (X, Y, V, W) is (—N═, ═CR 1 —, ═N—, —CR 7 ═), (—CR 2 ═, ═N—, ═N—, —CR 7 ═), etc.; A is an (un)substituted aromatic hydrocarbon ring, etc.; L is a single bond, —C(═O)—NR A —, etc.; Z is a group represented by the formula —NR 3 R 4 or a group represented by the formula —OR 5 ; R 1 to R 3 , R 6 , and R 7 each is a hydrogen atom, etc.; R 4 and R 5 each is an (un)substituted alkyl, etc.; and R 8 is an (un)substituted cycloalkyl, etc.

  提供了一个由一般式（1）表示的化合物，具有TTK抑制作用，以及含有该化合物的药物。在式（1）中，（X，Y，V，W）为（—N═，═CR1—，═N—，—CR7═），（—CR2═，═N—，═N—，—CR7═），等等；A为（非）取代芳香烃环等；L为一个单键，—C(═O)—NRA—等；Z为由式—NR3R4或式—OR5表示的基团；R1至R3，R6和R7分别是氢原子等；R4和R5分别是（非）取代烷基等；R8是（非）取代环烷基等。
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS POUR L'INHIBITION DE FASN
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2014164749A1

  公开（公告）日：2014-10-09

  The present invention relates to compounds and composition for inhibition of FASN, their synthesis, applications, and antidotes. An illustrative compound of the invention is shown below:

  本发明涉及用于抑制FASN的化合物和组合物，其合成、应用和解毒剂。本发明的一个示例化合物如下所示：
• HIV REPLICATION INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：US20140249306A1

  公开（公告）日：2014-09-04

  The present invention provides a novel compound having an antiviral action, in particular, an HIV replication inhibiting action, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein, a broken line means the presence or absence of a bond; R 1 is substituted or unsubstituted alkyl etc., R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is a substituted or unsubstituted aromatic carbocyclic group; R 4 is a hydrogen atom etc.; R 5 is a substituted or unsubstituted aromatic carbocyclic group etc.; Y is a single bond etc.; R 6 is substituted or unsubstituted alkyl; R 7 is —Z—R 71 etc.; Z is —NR 72 —CO— etc.; R 71 is substituted or unsubstituted alkyl etc.; R 72 is a hydrogen atom etc.

  本发明提供了一种具有抗病毒作用的新化合物，特别是具有抑制HIV复制作用的化合物，以及一种药物组合物，特别是一种抗HIV药物。其中，虚线表示键的存在或不存在；R1是取代或未取代的烷基等，R2是取代或未取代的烷氧基等；n为1或2；R3是取代或未取代的芳香环烷基；R4是氢原子等；R5是取代或未取代的芳香环烷基等；Y是单键等；R6是取代或未取代的烷基；R7是—Z—R71等；Z是—NR72—CO—等；R71是取代或未取代的烷基等；R72是氢原子等。
• Novel compounds and their use in therapy
  申请人：Hirvelae Leena

  公开号：US20050176742A1

  公开（公告）日：2005-08-11

  Thiophenepyrimidinone compounds and their use in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent diseases or disorders, such as steroid hormone dependent diseases or disorders requiring inhibition of 17β-hydroxysteroid dehydrogenase enzymes.

  硫代嘧啶酮化合物及其在治疗中的应用，特别是用于治疗和/或预防类固醇激素依赖性疾病或紊乱，如需要抑制17β-羟基类固醇脱氢酶酶的类固醇激素依赖性疾病或紊乱。
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS POUR L'INHIBITION DE NAMPT
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2012031197A1

  公开（公告）日：2012-03-08

  The present invention relates to compounds and compositions for the inhibition of NAMPT, their synthesis, applications and antidotes. An illustrative compound of the invention is shown below:

  本发明涉及用于抑制NAMPT的化合物和组合物，以及它们的合成、应用和解毒剂。本发明的一个示例化合物如下所示：