3-(6-methoxy-2-naphthyl)propyl 4-methylbenzenesulfonate | 1252687-44-7

• 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-(6-methoxy-2-naphthyl)propyl 4-methylbenzenesulfonate
• 英文别名: 3-(6-Methoxy-2-naphthyl)propyl 4-methylbenzenesulfonate；3-(6-methoxynaphthalen-2-yl)propyl 4-methylbenzenesulfonate
• CAS: 1252687-44-7
• 化学式: C₂₁H₂₂O₄S
• 分子量: 370.469
• InChiKey: LLOGZLVLBPJHAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(6-methoxy-2-naphthyl)propyl 4-methylbenzenesulfonate 在 cesium fluoride 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 以40%的产率得到2-(3-fluoropropyl)-6-methoxynaphthalene
  参考文献：
  名称：

  METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER 'S DISEASE

  摘要：

  公开号：

  EP2436666B1
• 作为产物：
  描述：

  2-溴-6-甲氧基萘 以 四氢呋喃 为溶剂， 生成 3-(6-methoxy-2-naphthyl)propyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Method for Obtaining Novel Derivatives of Naphthalene for the In Vivo Diagnosis of Alzheimer's Disease

  摘要：

  这项发明涉及化学领域，特别是属于芳香双环或萘类别的化合物有机合成领域，用于检测淀粉样蛋白片。这些新的萘衍生物具有一般公式：其中R代表相互独立的基团。在I中：R1：-烷基-C（O）NH-烷基-R3，-烷基-C（O）O—R4，R3：—COOH，—OH，—SH，—NH2，-烷基-NH-烷基-N-二硫代氨基甲酸盐，R4：H，琥珀酰亚胺基团，R2：—H，-烷基。在II中：R1：-烷基，-烷基卤代-烷基羟基-烷基-O-芳基，—O-烷基磺酸酯烷基，R2：-卤代-烷基-O-芳基，-烷基-O-烷基磺酸酯，-烷基卤代-，—CH（O），—HC═C（CN）2，—HC═CHNO2，-烷基-NH2，-烷基-NH-烷基，-烷基-烷基-N-二硫代氨基盐。术语“烷基”和“烷基烯基”指直链或支链脂肪链，最好是1到4个碳原子，卤代指氟、溴或碘。这些化合物是中性的、亲脂性的，具有低分子量，因此它们可以穿过血脑屏障并附着在淀粉样蛋白片上。本发明提供了获得萘衍生物的程序，其产率高，可以实用、经济，并适用于大规模生产。我们不知道本发明中提出的化合物是否已经被先前报道。

  公开号：

  US20120321560A1

文献信息

• METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTHALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER'S DISEASE
  申请人：Sablon Carrazana Marquiza

  公开号：US20150217005A1

  公开（公告）日：2015-08-06

  This invention relates to a chemistry branch, particularly to the field of compounds' organic synthesis that belong to the aromatic bicyclic or naphthalene category, used in the detection of amyloid sheets. These new naphthalene derivatives have a general formula: Wherein R represents mutually independent groups. In I: R 1 : -alkylenyl-C(O)NH-alkylenyl-R 3 , -alkylenyl-C(O)O—R 4 , R 3 : —COOH, —OH, —SH, —NH 2 , -alkyl-NH-alkyl-N-dithiocarbamate alkaline earth metal salts, R 4 : H, succinimidyl group, R 2 : —H, -alkyl. In II: R 1 : -alkyl, -alkylenyl-halide-alkylenyl-hydroxyl-alkylenyl-O-aryl, —O-alkylsulfonate alkylenyl, R 2 : -halide-alkylenyl-O-aryl, -alkylenyl-O-alkylsulfonate, -alkylenyl-halide-, —CH(O), —HC═C(CN) 2 , —HC═CHNO 2 , -alkylenyl-NH 2 , -alkylenyl-NH-alkyl, -alkylenyl-alkyl-N-dithiocarbamate alkaline salts. The terms “alkyl” and “alkylenyl” refer to linear or branched aliphatic chains, preferably from 1 to 4 carbon atoms and the term halide to fluorine, bromine or iodine. These compounds are neutral, lipophilic and have low molecular weight and therefore they cross the blood brain barrier and attach to the amyloid sheets. The present invention provides procedures for obtaining naphthalene derivatives with good yields, which can be practical, economical and adapted to a larger-scale manufacturing.

  本发明涉及化学分支，特别是属于芳香族双环或萘类化合物有机合成领域，用于淀粉样板的检测。这些新的萘衍生物具有下列一般式：其中R代表相互独立的基团。在I中：R1：-烷基-C（O）NH-烷基-R3，-烷基-C（O）O—R4，R3：-COOH，-OH，-SH，-NH2，-烷基-NH-烷基-N-二硫代氨基酸盐，R4：H，琥珀酰亚胺基团，R2：-H，-烷基。在II中：R1：-烷基，-烷基卤代-烷基羟基-烷基-O-芳基，-O-烷基磺酸酯烷基，R2：-卤代-烷基-O-芳基，-烷基-O-烷基磺酸酯，-烷基卤代-，-CH（O），-HC═C（CN）2，-HC═CHNO2，-烷基-NH2，-烷基-NH-烷基，-烷基-烷基-N-二硫代氨基酸盐。术语“烷基”和“烷基烷基”指线性或支链脂肪链，最好是1到4个碳原子，卤素一词指氟、溴或碘。这些化合物是中性、亲脂性和分子量低，因此它们可以穿过血脑屏障并附着在淀粉样板上。本发明提供了获得萘衍生物的程序，其收率良好，可以实用、经济并适用于更大规模的制造。
• Method for obtaining novel derivatives of naphtalene for the in vivo diagnosis of Alzheimer's disease
  申请人：Centro De Neurociencias De Cuba

  公开号：EP2860169A2

  公开（公告）日：2015-04-15

  This invention relates to a chemistry branch, particularly to the field of compounds' organic synthesis that belongs to the aromatic bicyclic or naphthalene category, used in the detection of amyloid sheets. These new naphthalene derivatives have a general formula: Where R represents mutually independent groups. In I: R1: -alkylenyl-C(O)NH-alkylenyl-R3, -alkylenyl-C(O)O-R4; R3: -COOH, -OH, - SH, -NH2, -alkyl-NH, -alkyl-N-dithiocarbamate alkaline earth metal salts. R4: succinimidyl group. R2: -H, -alkyl. The term "alkyl" is characterized by a linear or branched aliphatic chain, hydrogen and saturated carbon atoms, comprising a methyl, ethyl, n-propyl, iso-propyl, n-butyl or iso-butyl groups. The term "alkylenyl" refers to a divalent analog of a linear or branched alkyl group, preferably ethylenyl (CH2CH2) or butylenyl (CH2CH2CH2CH2) radicals. In II: R1: -alkyl, and R2 is -alkylenyl-O-arylsulfonate, -alkylenyl-halide, -CH(O), alkylenyl-NH2, -alkylenyl-NH-alkyl, -alkylenyl-alkyl-N-dithiocarbamate salts such as cesium, potassium or sodium. The term "alkyl" is characterized by a linear or branched aliphatic chain, hydrogen and saturated carbon atoms, preferably methyl, ethyl, n-propyl, iso-propyl, n-butyl or iso-butyl. The term "alkylenyl" refers to a divalent analog of a linear or branched alkyl group, preferably propylenyl (-CH2CH2 CH2) radical. The term halide refers to fluorine, bromine or iodine. or, In II: R1: -alkylenyl-halide, -alkylenyl-O-arylsulfonate and R2: -halide, -alkylenyl-O-arylsulfonate, -alkylenyl-O-alkylsulfonate, -alkylenyl-halide, -CH(O), -HC=C(CN)2, - HC=CHNO2, -alkylenyl-NH2, -alkylenyl-NH-alkyl, -alkylenyl-alkyl-N-dithiocarbamate salts such as cesium, potassium or sodium. The term "alkylenyl" refers to a divalent analog of a linear or branched alkyl group, preferably propylenyl (-CH2CH2 CH2) radical. The term halide refers to fluorine, bromine or iodine. These compounds are neutral, lipophilic and have low molecular weight and therefore they cross the blood brain barrier and attach to the amyloid sheets. The present invention provides procedures for obtaining naphthalene derivatives with good yields, which can be practical, economical and adapted to a larger-scale manufacturing. We are unaware whether the compounds presented in this invention have been previously reported.

  本发明涉及化学分支，特别是化合物有机合成领域，属于芳香族双环或萘类，用于检测淀粉样蛋白片。这些新型萘衍生物的通式为 其中 R 代表相互独立的基团。 在 I．R1：-烷烯基-C（O）NH-烷烯基-R3，-烷烯基-C（O）O-R4； R3：-COOH、-OH、-SH、-NH2、-烷基-NH、-烷基-N-二硫代氨基甲酸碱土金属盐。R4：琥珀酰亚胺基。R2：-H、-烷基。术语 "烷基 "的特征是由甲基、乙基、正丙基、异丙基、正丁基或异丁基基团组成的直链或支链脂肪族链、氢原子和饱和碳原子。术语 "烷烯基 "是指直链或支链烷基的二价类似物，最好是乙烯基（CH2CH2）或丁烯基（CH2CH2CH2）。 在 II：R1：-烷基，R2 是-烯基-O-芳基磺酸盐、-烯基-卤化物、-CH(O)、烯基-NH2、-烯基-NH-烷基、-烯基-烷基-N-二硫代氨基甲酸盐，如铯、钾或钠。术语 "烷基 "的特征是直链或支链脂肪族链、氢原子和饱和碳原子，最好是甲基、乙基、正丙基、异丙基、正丁基或异丁基。术语 "烷烯基 "是指直链或支链烷基的二价类似物，最好是丙烯基（-CH2CH2 CH2）。卤化物指氟、溴或碘。 或、 在 II：R1：-烷基卤化物、-烷基-O-芳基磺酸盐和 R2：-卤化物、-烷基-O-芳基磺酸盐、-烷基-O-烷基磺酸盐、-烷基卤化物、-CH(O)、-HC=C(CN)2、-HC=CHNO2、-烷基-NH2、-烷基-NH-烷基、-烷基-烷基-N-二硫代氨基甲酸盐，如铯、钾或钠。术语 "烷烯基 "是指直链或支链烷基的二价类似物，最好是丙烯基（-CH2CH2 CH2）。卤化物指氟、溴或碘。 这些化合物呈中性、亲油且分子量低，因此可穿过血脑屏障并附着在淀粉样蛋白片上。 本发明提供了获得萘衍生物的程序，产量高，实用、经济，可用于大规模生产。 我们不知道本发明中提出的化合物以前是否已有报道。
• Method for obtaining novel derivatives of naphthalene for the in vivo diagnosis of Alzheimer's disease
  申请人：Carrazana Marquiza Sablon

  公开号：US10155053B2

  公开（公告）日：2018-12-18

  This invention relates to a chemistry branch, particularly to the field of compounds' organic synthesis that belong to the aromatic bicyclic or naphthalene category, used in the detection of amyloid sheets. These new naphthalene derivatives have a general formula: Wherein R represents mutually independent groups. In I: R1: -alkylenyl-C(O)NH-alkylenyl-R3, -alkylenyl-C(O)O—R4, R3: —COOH, —OH, —SH, —NH2, -alkyl-NH-alkyl-N-dithiocarbamate alkaline earth metal salts, R4: H, succinimidyl group, R2: —H, -alkyl. In II: R1: -alkyl, -alkylenyl-halide-alkylenyl-hydroxyl-alkylenyl-O-aryl, —O-alkylsulfonate alkylenyl, R2: -halide-alkylenyl-O-aryl, -alkylenyl-O-alkylsulfonate, -alkylenyl-halide-, —CH(O), —HC═C(CN)2, —HC═CHNO2, -alkylenyl-NH2, -alkylenyl-NH-alkyl, -alkylenyl-alkyl-N-dithiocarbamate alkaline salts. The terms “alkyl” and “alkylenyl” refer to linear or branched aliphatic chains, preferably from 1 to 4 carbon atoms and the term halide to fluorine, bromine or iodine. These compounds are neutral, lipophilic and have low molecular weight and therefore they cross the blood brain barrier and attach to the amyloid sheets. The present invention provides procedures for obtaining naphthalene derivatives with good yields, which can be practical, economical and adapted to a larger-scale manufacturing.

  本发明涉及化学分支，特别是用于检测淀粉样蛋白片的芳香族双环或萘类化合物的有机合成领域。这些新的萘衍生物具有通式：其中 R 代表相互独立的基团。在 I．R1：-烷烯基-C（O）NH-烷烯基-R3，-烷烯基-C（O）O-R4，R3：-COOH，-OH，-SH，-NH2，-烷基-NH-烷基-N-二硫代氨基甲酸碱土金属盐，R4：H，琥珀酰亚胺基，R2：-H，-烷基。在 II：R1：-烷基，-烷烯基-卤代-烷烯基-羟基-烷烯基-O-芳基，-O-烷基磺酸烷烯基，R2：-CH(O)，-HC═C(CN)2，-HC═CHNO2，-烷基-NH2，-烷基-NH-烷基，-烷基-烷基-N-二硫代氨基甲酸烷基盐。术语 "烷基 "和 "烷烯基 "指直链或支链脂肪族链，最好是 1 至 4 个碳原子，术语卤化物指氟、溴或碘。这些化合物呈中性、亲油且分子量低，因此可以穿过血脑屏障并附着在淀粉样蛋白片上。本发明提供了获得萘衍生物的程序，产量高，实用、经济，可用于大规模生产。
• US9764047B2
  申请人：——

  公开号：US9764047B2

  公开（公告）日：2017-09-19
• METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER 'S DISEASE
  申请人：Centro De Neurociencias De Cuba

  公开号：EP2436666B1

  公开（公告）日：2014-04-09