5-[2-(2-butoxyethoxy)-ethoxymethyl]-6-n-decyl-1,3-benzodioxole | 1456728-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 5-[2-(2-butoxyethoxy)-ethoxymethyl]-6-n-decyl-1,3-benzodioxole
• 英文别名: 5-[2-(2-Butoxyethoxy)ethoxymethyl]-6-decyl-1,3-benzodioxole
• CAS: 1456728-93-0
• 化学式: C₂₆H₄₄O₅
• 分子量: 436.632
• InChiKey: NRBDXSWXNUSYMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  31
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] USE OF DERIVATIVE COMPOUNDS OF 1,3-BENZODIOXOLE IN INSECTICIDAL COMPOSITIONS<br/>[FR] UTILISATION DE DÉRIVÉS DE 1,3-BENZODIOXOLE DANS DES COMPOSITIONS INSECTICIDES
  申请人：ENDURA SPA

  公开号：WO2013135806A1

  公开（公告）日：2013-09-19

  The invention relates to the use of a derivative compound of 1,3-benzodioxole of formula (I) wherein R is a linear or branched (C4-C10) alkyl substituent as a synergistic compound of insecticidal active ingredients insecticidal compositions comprising at least one compound of Formula (I) and at least one insecticidal active ingredient are also described.

  该发明涉及将式(I)中R为线性或支链(C4-C10)烷基取代基的1,3-苯并二氧杂环己烷衍生物用作杀虫活性成分的协同化合物，还描述了包含至少一种式(I)化合物和至少一种杀虫活性成分的杀虫组合物。
• [EN] AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY<br/>[FR] PYRAZOLONES AMINOMÉTHYLÈNE À ACTIVITÉ THÉRAPEUTIQUE
  申请人：COMPOUND HANDLING B V

  公开号：WO2013131931A1

  公开（公告）日：2013-09-12

  A compound having the structure according to formula III wherein: X is NH or S;R1 is H or (1C-4C)alkyl;R2 is (1C-4C)alkyl, phenyl or a monocyclic aromatic ring having one or more N-, O-or S-atoms in the ring, which alkyl, phenyl or aromatic ring is optionally substituted with one or more groups selected from (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, phenyloxy, phenylthio, halogen, or nitro;R3 and R4 are each independently H, (1C-6C)alkyl, (2C-6C) alkenyl, (2C-6C)alkynyl, cyano, (3C-6C)cycloalkyl, phenyl, a monocyclic aromatic ring having one or more N-, O- or S-atoms in the ring, a monocyclic non-aromatic ring having one or more N-, O- or S-atoms in the ring, each optionally substituted with hydroxyl, (1C-4C)alkoxy, phenyl, cycloalkyl, piperidyl, piperazinyl, furyl, thienyl, pirazinyl, pyrrolyl, 2H-pyrrolyl, pyrazolyl, isoxazolyl, isothiazolyl, pyrrolidonyl, pyrrolinyl, imidazolinyl, imidazolyl, a monocyclic aromatic ring having one or more N-, O- or S- atoms in the ring, whereby each of these optional substituents is optionally further substituted with (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, halogen, nitro or (1C-2C)dioxol forming a ring;or R3 and R4 form together pyrrolyl, imidazolyl, pyrazolyl, pyrrolidinyl, pyrrolinylimidazolidinyl, imidazolinyl, piperidyl, piperazinylmorpholinyl, each optionally substituted with (1C-6C)alkyl, phenyl(1C-4C)alkyl, phenylketo(1C-4C)alkyl; R5 is H, Cl, F, Br, Me, NO2, t-butyl, OCF3, OCH3, CF3; R6 is H, (1C-4C)alkyl, (1C-4C)alkyloxy, halo(1C-4C)alkyl, halo(1C-4C)alkyloxy, nitro or halogen;R7 is H,F, Cl, Br, Me, NO2, t-butyl, OCF3, OCH3, CF3; or pharmaceutically acceptable addition salts thereof for use in treatments of carcinoma, in particular to delay, prevent or reverse metastasis in prostate cancer.

  具有根据式III的结构的化合物，其中：X为NH或S；R1为H或(1C-4C)烷基；R2为(1C-4C)烷基、苯基或具有环中一个或多个N、O或S原子的单环芳香环，该烷基、苯基或芳香环可以选择地被一个或多个来自(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、苯氧基、苯硫基、卤素或硝基的基团取代；R3和R4分别独立地为H、(1C-6C)烷基、(2C-6C)烯基、(2C-6C)炔基、氰基、(3C-6C)环烷基、苯基、具有环中一个或多个N、O或S原子的单环芳香环、具有环中一个或多个N、O或S原子的单环非芳香环，每个可以选择地被羟基、(1C-4C)烷氧基、苯基、环烷基、哌啶基、哌嗪基、呋喃基、噻吩基、吡嗪基、吡咯基、2H-吡咯基、吡唑基、异噁唑基、异硫唑基、吡咯烷酰基、吡咯烯基、咪唑啉基、咪唑啉基咪唑啉基、咪唑啉基、哌啶基、哌嗪基吗啉基，每个可以选择地进一步被(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、卤素、硝基或(1C-2C)二氧杂环己基取代形成环；或者R3和R4共同形成吡咯基、咪唑基、吡唑基、吡咯烷基、吡咯烯基、咪唑啉基、哌啶基、哌嗪基吗啉基，每个可以选择地被(1C-6C)烷基、苯基(1C-4C)烷基、苯基酮(1C-4C)烷基取代；R5为H、Cl、F、Br、Me、NO2、叔丁基、O 、OCH3、CF3；R6为H、(1C-4C)烷基、(1C-4C)烷氧基、卤代(1C-4C)烷基、卤代(1C-4C)烷氧基、硝基或卤素；R7为H、F、Cl、Br、Me、 、叔丁基、O 、OCH3、 ；或其在治疗癌症，特别是延迟、预防或逆转前列腺癌转移方面的药学上可接受的加合物盐。
• USE OF DERIVATIVE COMPOUNDS OF1,3-BENZODIOXOLE IN INSECTICIDAL COMPOSITIONS
  申请人：ENDURA S.P.A.

  公开号：US20150038465A1

  公开（公告）日：2015-02-05

  The invention relates to the use of a derivative compound of 1,3-benzodioxole of formula (I) wherein R is a linear or branched (C 4 -C 10 ) alkyl substituent as a synergistic compound of insecticidal active ingredients insecticidal compositions comprising at least one compound of Formula (I) and at least one insecticidal active ingredient are also described.

  该发明涉及将式(I)中R为线性或支链(C4-C10)烷基取代基的1,3-苯并二氧杂环己烷衍生物用作杀虫活性成分的协同化合物，还描述了包含至少一种式(I)化合物和至少一种杀虫活性成分的杀虫组合物。
• USE OF DERIVATIVE COMPOUNDS OF 1,3-BENZODIOXOLE IN INSECTICIDAL COMPOSITIONS
  申请人：Endura S.p.A.

  公开号：EP2840897A1

  公开（公告）日：2015-03-04
• AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY
  申请人：Compound Handling B.V.

  公开号：EP2822945A1

  公开（公告）日：2015-01-14