3-chloro-2-(methylsulfanyl)benzaldehyde | 1033574-03-6

• 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: 3-chloro-2-(methylsulfanyl)benzaldehyde
• 英文别名: 2-methylthio-3-chlorobenzaldehyde；3-chloro-2-methylsulfanylbenzaldehyde
• CAS: 1033574-03-6
• 化学式: C₈H₇ClOS
• 分子量: 186.662
• InChiKey: DMYQUIJZJIYZOV-UHFFFAOYSA-N

物化性质

• 沸点：
  263.9±30.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-chloro-2-(methylsulfanyl)benzaldehyde 、 氨基胍碳酸氢盐 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.17h， 以70%的产率得到N-(2-methylthio-3-chlorobenzylideneamino)guanidine
  参考文献：
  名称：

  WO2008/71980

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(3-氯苯基)-1,3-二氧戊环 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 5.75h， 生成 3-chloro-2-(methylsulfanyl)benzaldehyde
  参考文献：
  名称：

  Functionalization of 3-Chlorobenzaldehyde

  摘要：

  2-Substituted 3-chlorobenzaldehydes were prepared from the corresponding 2-(3-chlorophenyl)-1,3-dioxolanes using an ortho-lithiation strategy. The 6-chloro-2-formylbenzamide exists only in a ring form, but 6-chloro-2-formylbenzoic acid esters were isolated in both forms as open chain and cyclic tautomers. 7-Chloro-3-hydroxy-3H-isobenzofuran-1-one reacted with nucleophilic reagents at the carbonyl or quaternary carbon depending on the character of nucleophile.

  DOI：

  10.1055/s-0031-1289784

文献信息

• NOVEL AMINOGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS.
  申请人：Acure Pharma AB

  公开号：EP2121585A1

  公开（公告）日：2009-11-25
• NOVEL AMINOGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS
  申请人：AnaMar AB

  公开号：EP2121585B1

  公开（公告）日：2014-05-28
• Novel Aminoguanidines as Melanocortin Receptor Ligands
  申请人：Lundstedt Torbjorn

  公开号：US20100056641A1

  公开（公告）日：2010-03-04

  There are described compounds of general formula (I) and isomeric forms thereof wherein n is 0, 1, 2 or 3, saturated or unsaturated; most preferably at least one of R 1 to R 5 represents halogen; at least one of R 1 , R 2 , R 3 , R 4 and R 5 is selected from —S—R or —COOR, or two or more Of R 1 -R 5 comprise a linking group such as —S—(CH2) m S—, where m is 1, 2 or 3 and R is selected from alkyl having 1 to 5 carbon atoms, cycloalkyl having 3-6 carbon atoms, hydroxy, and aryl having 6 to 10 carbon atoms, such groups being optionally substituted, and when R 1 is selected from —S—R, then at least one of R 2 , R 3 and R 5 is most preferably selected from halogen; and R 1 , R 2 , R 3 , R 4 and R 5 are otherwise the same or different and are selected from hydrogen, halogen, alkyl having 1 to 5 carbon atoms, electron donor groups such as alkoxy having 1-5 carbon atoms or hydroxy, electron acceptor groups selected from cyano, nitro, trifluoroalkyl or amide; alkylamino, benzoyloxy, nitroxy, phenyl or sulpho; and pharmacologically acceptable salts thereof. Compounds described have activity on the melanocortin receptors and have application in the treatment of a wide range of inflammatory, arthritic or central nerve regeneration conditions.
• US8372878B2
  申请人：——

  公开号：US8372878B2

  公开（公告）日：2013-02-12
• [EN] NOVEL AMINOGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS.<br/>[FR] UTILISATION DE NOUVELLES AMINOGUANIDINES COMME LIGANDS DES RÉCEPTEURS DE LA MÉLANOCORTINE
  申请人：ACURE PHARMA AB

  公开号：WO2008071980A1

  公开（公告）日：2008-06-19

  [EN] There are described compounds of general formula (I) and isomeric forms thereof wherein n is 0,1,2 or 3, saturated or unsaturated; most preferably at least one of R₁ to R₅ represents halogen; at least one of R₁, R₂, R₃, R₄ and R₅ is selected from -S-R or -COOR, or two or more Of R₁-R₅ comprise a linking group such as -S-(CH2)_mS-, where m is 1, 2 or 3 and R is selected from alkyl having 1 to 5 carbon atoms, cycloalkyl having 3-6 carbon atoms, hydroxy, and aryl having 6 to 10 carbon atoms, such groups being optionally substituted, and when R₁ is selected from -S-R, then at least one of R₂, R₃ and R₅ is most preferably selected from halogen; and R₁, R₂, R₃, R₄ and R₅ are otherwise the same or different and are selected from hydrogen, halogen, alkyl having 1 to 5 carbon atoms, electron donor groups such as alkoxy having 1-5 carbon atoms or hydroxy, electron acceptor groups selected from cyano, nitro, trifluoroalkyl or amide; alkylamino, benzoyloxy, nitroxy, phenyl or sulpho; and pharmacologically acceptable salts thereof. Compounds described have activity on the melanocortin receptors and have application in the treatment of a wide range of inflammatory, arthritic or central nerve regeneration conditions.
  [FR] L'invention concerne des composés de formule générale (I) et des formes isomères de ces derniers. Dans ladite formule : n représente 0, 1, 2 ou 3, saturé ou non saturé; idéalement, au moins l'un des éléments R₁ à R₅ représente halogène; au moins l'un des éléments R₁, R₂, R₃, R₄ et R₅ est sélectionné parmi -S-R or -COOR, ou au moins deux éléments parmi R₁-R₅ contiennent un groupe de liaison tel que -S-(CH₂)_m-S-, m étant égal à 1, 2 ou 3 et R étant sélectionné parmi un alkyle possédant 1 à 5 atomes de carbone, un cycloalkyle possédant 3 à 6 atomes de carbone, hydroxy et un aryle possédant 6 à 10 atomes de carbone, de tels groupes étant éventuellement substitués; lorsque R₁ représente -S-R, au moins l'un des éléments R₂, R₃ et R₅ est idéalement sélectionné parmi le groupe halogène; et R₁, R₂, R₃, R₄ et R₅ sont sinon identiques ou différents et sélectionnés parmi hydrogène, halogène, un alkyle possédant 1 à 5 atomes de carbone, des groupes donneurs d'électrons tels qu'un alcoxy possédant 1 à 5 atomes de carbone ou hydroxy, des groupes accepteurs d'électrons sélectionnés parmi cyano, nitro, trifluoroalkyle ou amide, et alkylamino, benzoyloxy, nitroxy, phényle ou sulpho. L'invention a a également trait à des sels pharmacologiquement acceptables desdits composés. Les composés selon l'invention agissent sur les récepteurs de la mélanocortine et peuvent servir à traiter un grand nombre de troubles inflammatoires, arthritiques et nécessitant la régénération nerveuse du système nerveux central.