2-(bromomethyl)-6-chlorobenzaldehyde | 1379331-79-9

• 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: 2-(bromomethyl)-6-chlorobenzaldehyde
• 英文别名: 2-(Bromomethyl)-6-chlorobenzaldehyde
• CAS: 1379331-79-9
• 化学式: C₈H₆BrClO
• 分子量: 233.492
• InChiKey: NUNAJBBOGNCZCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(bromomethyl)-6-chlorobenzaldehyde 、 苯肼 在 iron(III) chloride 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 22.0h， 以90%的产率得到5-chloro 2-phenyl-1,2-dihydrophthalazine
  参考文献：
  名称：

  Synthesis of 2-Aryl-1,2-dihydrophthalazines via Reaction of 2-(Bromomethyl)benzaldehydes with Arylhydrazines

  摘要：

  The reaction of 2-(bromomethyl)benzaldehydes with arylhydrazines employing K2CO3 as a base and FeCl3 as a catalyst in CH3CN at 100 degrees C delivers 2-aryl-1,2-dihydrophthalazines with yields ranging from 60 to 91%. The transformation is considered to proceed as an intermolecular condensation/intramolecular nucleophilic substitution.

  DOI：

  10.1021/jo302491x
• 作为产物：
  描述：

  2-(溴甲基)-6-氯苯甲腈 在 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 4.42h， 以60%的产率得到2-(bromomethyl)-6-chlorobenzaldehyde
  参考文献：
  名称：

  Synthesis of 2-Aryl-1,2-dihydrophthalazines via Reaction of 2-(Bromomethyl)benzaldehydes with Arylhydrazines

  摘要：

  The reaction of 2-(bromomethyl)benzaldehydes with arylhydrazines employing K2CO3 as a base and FeCl3 as a catalyst in CH3CN at 100 degrees C delivers 2-aryl-1,2-dihydrophthalazines with yields ranging from 60 to 91%. The transformation is considered to proceed as an intermolecular condensation/intramolecular nucleophilic substitution.

  DOI：

  10.1021/jo302491x

文献信息

• METHOD FOR PRODUCING 2-(ARYLOXYMETHYL)BENZALDEHYDE COMPOUND
  申请人：Sumitomo Chemical Company Limited

  公开号：EP2725005B1

  公开（公告）日：2017-08-02
• METHOD FOR PRODUCING 2-(ARYLOXYMETHYL) BENZALDEHYDE COMPOUND
  申请人：Kawamura Mitsunobu

  公开号：US20140213825A1

  公开（公告）日：2014-07-31

  A new process for producing a 2-(aryloxymethyl)benzaldehyde compound and the like are provided. More particularly, a process for producing a 2-(aryloxymethyl)benzaldehyde compound represented by formula (4) comprising step (A) of hydrolyzing a compound represented by the following formula (1); and step (B) of reacting a compound represented by formula (2) obtained in step (A) and a compound represented by formula (3) or a salt thereof is provided; in formulae, X 1 , X 2 and X 3 each represent independently a chlorine atom, a bromine atom or an iodine atom, Q 1 , Q 2 , Q 3 and Q 4 each represent independently a hydrogen atom or a halogen atom, and Ar represents a phenyl group optionally having a substituent).
• US9000225B2
  申请人：——

  公开号：US9000225B2

  公开（公告）日：2015-04-07
• [EN] PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S<br/>[FR] DERIVES DE PYRAZOLE DESTINES A INHIBER LES KINASES DEPENDANTES DES CYCLINES (CDK) ET LES GLYCOGENE SYNTHASES KINASES (GSK)
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006077419A1

  公开（公告）日：2006-07-27

  [EN] The invention provides compounds of the formula (I) or a salt, tautomer, solvate or N-oxides thereof; wherein: R¹ is selected from (a) 2,6-dichlorophenyl; (b) 2,6-difluorophenyl; (c) a 2,3,6-trisubstituted phenyl group wherein the substituents are fluorine, chlorine, methyl or methoxy; and (d) a group R⁰ wherein R⁰ is a 3-12 membered carbocyclic or heterocyclic group; or optionally substituted C_1-8 hydrocarbyl; R^2a and R^2bare each hydrogen or methyl; and R³ is as defined in the claims. The compounds have activity as inhibitors of Cyclin Dependent Kinases (CDK) and Glycogen Synthase Kinases (GSK) kinases and are useful in the treatment or prophylaxis of disease states or conditions mediated by the kinases.
  [FR] La présente invention concerne des composés de formule (1), ou un sel, tautomère, solvate ou N-oxydes de ceux-ci ; R¹ est sélectionné dans le groupe composé de (a) 2,6-dichlorophényl; (b) 2,6-difluorophényl; (c) un groupe phényle trisubstitué en 2,3,6 où les substituants sont fluor, chlore, méthyle ou méthoxy ; et (d) un groupe R⁰ où R⁰ est un groupe carbocyclique ou hétérocyclique à 3-12 membres ; ou hydrocarbyle en C_1-8 facultativement substitué ; R^2a et R^2b représentent chacun hydrogène ou méthyle ; et R³ est tel que défini dans les revendications. Les composés présentent une activité en tant qu'inhibiteurs des kinases dépendantes des cyclines (CDK) et des glycogène synthases kinases, et sont utiles pour le traitement ou la prophylaxie d'états pathologiques ou de troubles induits par les kinases.
• Synthesis of 2-Aryl-1,2-dihydrophthalazines via Reaction of 2-(Bromomethyl)benzaldehydes with Arylhydrazines
  作者：Nayyef Aljaar、Jürgen Conrad、Uwe Beifuss

  DOI：10.1021/jo302491x

  日期：2013.2.1

  The reaction of 2-(bromomethyl)benzaldehydes with arylhydrazines employing K2CO3 as a base and FeCl3 as a catalyst in CH3CN at 100 degrees C delivers 2-aryl-1,2-dihydrophthalazines with yields ranging from 60 to 91%. The transformation is considered to proceed as an intermolecular condensation/intramolecular nucleophilic substitution.