1-(1-methyl-hexyl)-1H-imidazole | 99976-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1-methyl-hexyl)-1H-imidazole
• 英文别名: 1-(1-Methyl-hexyl)-1H-imidazol；1-Heptan-2-ylimidazole
• CAS: 99976-58-6
• 化学式: C₁₀H₁₈N₂
• 分子量: 166.266
• InChiKey: FPQNFKJZQNWICB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硝酸 、 sodium nitrite 作用下， 生成 1-(1-methyl-hexyl)-1H-imidazole
  参考文献：
  名称：

  Studies of Imidazoles. VII. Substituted 1-Phenethylimidazoles and Related Compounds^*,1

  摘要：

  DOI：

  10.1021/jo01362a008

文献信息

• [EN] HIGH PURITY BUTOCONAZOLE NITRATE WITH SPECIFIED PARTICLE SIZE AND A PROCESS FOR PREPARATION THEREOF<br/>[FR] BUTOCONAZOLE NITRATE DE HAUTE PURETE PRESENTANT UNE TAILLE PARTICULAIRE SPECIFIEE, ET SON PROCEDE DE PREPARATION
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2005070897A1

  公开（公告）日：2005-08-04

  One object of the invention is high purity butoconazole nitrate of the formula (I) (I) containing maximum 0.1 wt % of chemical impurities, wherein at least 95% of the particles of the substance are below 75µm by diameter, whereas at least 99% of the particles are below 250µm by diameter, and process for its preparation. A pharmaceutical composition comprising as active ingredient, high purity butoconazole nitrate of specified particle size in admixture with known auxiliaries is also within the scope of the invention.

  本发明的一个目标是具有化学式(I)（I）的高纯度硝酸布托康唑，其化学杂质含量最大为0.1重量％，其中至少95％的颗粒直径小于75µm，而至少99％的颗粒直径小于250µm，以及其制备方法。本发明还涵盖了一种包含作为活性成分的特定粒径高纯度硝酸布托康唑与已知辅助剂混合的制药组合物。
• Perfluorinated amide salts and their uses as ionic conducting materials
  申请人：——

  公开号：US20030052310A1

  公开（公告）日：2003-03-20

  The invention concerns ionic compounds in which the anionic load has been delocalized. A compound disclosed by the invention is comprised of an amide or one of its salts, including an anionic portion combined with at least one cationic portion M +m in sufficient numbers to ensure overall electronic neutrality; the compound is further comprised of M as a hydroxonium, a nitrosonium NO + , an ammonium —NH 4 +, a metallic cation with the valence m, an organic cation with the valence m, or an organometallic cation with the valence m. The anionic portion matches the formula R F —SO x —N − Z, wherein R F is a perfluorinated group, x is 1 or 2, and Z is an electroattractive substituent. The compounds can be used notably for ionic conducting materials, electronic conducting materials, colorants, and the catalysis of various chemical reactions.

  本发明涉及离子化合物，其中阴离子负载已被去离子化。本发明揭示的一种化合物由酰胺或其盐组成，包括与至少一个阳离子M+结合以确保总体电中性的阴离子部分。该化合物还由M作为氢氧根离子，亚硝酰离子NO+，铵离子—NH4+，价态为m的金属阳离子，价态为m的有机阳离子或价态为m的有机金属阳离子组成。阴离子部分符合RF—SOx—N−Z的公式，其中RF是全氟化基团，x为1或2，Z是具有电子吸引性的取代基。这些化合物可以用于离子导电材料、电子导电材料、着色剂以及各种化学反应的催化剂。
• High Purity Butoconazole Nitrate with Specified Particle Size and a Process for the Preparation Thereof
  申请人：Czibula Laszlo

  公开号：US20080221190A1

  公开（公告）日：2008-09-11

  One object of the invention is high purity butoconazole nitrate of the formula (I) (I) containing maximum 0.1 wt % of chemical impurities, wherein at least 95% of the particles of the substance are below 75pm by diameter, whereas at least 99% of the particles are below 250 μm by diameter, and process for its preparation. A pharmaceutical composition comprising as active ingredient, high purity butoconazole nitrate of specified particle size in admixture with known auxiliaries is also within the scope of

  本发明的一个目标是高纯度的丁康唑硝酸盐，其化学式为（I）（I），最大含量为0.1重量％的化学杂质，其中至少95％的物质粒子直径在75pm以下，而至少99％的物质粒子直径在250μm以下，以及其制备方法。还包括一种制药组合物，其中包括所述的特定粒径的高纯度丁康唑硝酸盐与已知辅助剂混合而成的活性成分。
• High purity butoconazole nitrate with specified particle size and a process for preparation of thereof
  申请人：RICHTER GEDEON VEGYÉSZETI GYÁR RT

  公开号：EP1903035A2

  公开（公告）日：2008-03-26

  One object of the invention is high purity butoconazole nitrate of the formula (I) (chemical name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)-n-butyl]-imidazole nitrate) containing maximum 0.1 wt % of chemical impurities, wherein at last 95 % of the particles of the substance are below 75 µm by diameter, whereas at least 99 % of the particles are below 250 µm by diameter. Another object of the invention is a process for the preparation of butoconazole nitrate starting from 1-chloro-4-chlorophenyl-2-butanol and imidazole to yield a compound of the formula (IV), reacting said compound of formula (IV) with thionyl chloride to give a compound of the formula (V) and reacting the obtained compound of the formula (V) with 2,6-dichlorothiophenol, performing said reaction steps in such a manner that the first step is carried out in a mixture of a water immiscible solvent and an aqueous solution of an alkali metal hydroxide or carbonate in the presence a phase transfer catalyst; the second step is accomplished in 1,2-dichloroethane solvent in the presence of dimethylformamide, whereas 1-1.2 mol of thionyl chloride reactant is used based on the amount of the compound of the formula (IV); and the third steps is performed without isolation of the product (VI) from the solution obtained, but to said solution nitric acid is added to give the butoconazole nitrate salt. Still another object of the invention is a process for the preparation of the compound with the above specified particle size starting from crude butoconazole nitrate in such a manner that the starting material is dissolved in a mixture of methanol and methyl isobutyl ketone of 1 - 1.5 : 1 ratio (v/v), this solution is then added to methyl isobutyl ketone cooled to a temperature between 5 °C and -15 °C and the product obtained is isolated. A pharmaceutical composition comprising as active ingredient high purity butoconazole nitrate of specified particle size in admixture with known auxiliaries is also within the scope of the invention.

  本发明的一个目的是式(I)的高纯度硝酸丁康唑(化学名称：1-[4-(4-氯苯基)-2-(2,6-二氯苯硫基)-正丁基]-咪唑硝酸盐)，其化学杂质含量不超过0.1重量％，其中至少95％的物质颗粒直径低于75微米，而至少99％的颗粒直径低于250微米。本发明的另一个目的是制备硝酸丁康唑的工艺，从 1-氯-4-氯苯基-2-丁醇和咪唑开始，得到式 (IV) 化合物，将所述式 (IV) 化合物与亚硫酰氯反应，得到式 (V) 化合物，将得到的式 (V) 化合物与 2、6-二氯苯硫酚反应，第一步在不溶于水的溶剂和碱金属氢氧化物或碳酸盐水溶液的混合物中，在相转移催化剂存在下进行；第二步在有二甲基甲酰胺存在的 1，2-二氯乙烷溶剂中完成，而 1-1.2摩尔的亚硫酰氯反应物；第三步不从所得溶液中分离产物(VI)，但在所述溶液中加入硝酸，得到硝酸丁康唑盐。 本发明的另一个目的是以硝酸丁康唑粗盐为起始原料制备具有上述粒度的化合物的工艺，其方法是将起始原料溶解在甲醇和甲基异丁基酮的混合物中，其比例为 1 - 1.5 : 1 (v/v)，然后将该溶液加入甲基异丁基酮中，冷却至 5 °C 至 -15 °C 之间，分离得到产物。 一种药物组合物也属于本发明的范围，该药物组合物包括作为活性成分的高纯度硝酸丁康唑和已知的助剂，其粒径为规定的粒度。
• HIGH PURITY BUTOCONAZOLE NITRATE WITH SPECIFIED PARTICLE SIZE AND A PROCESS FOR PREPARATION THEREOF
  申请人：RICHTER GEDEON VEGYESZETI GYAR RT.

  公开号：EP1709005A1

  公开（公告）日：2006-10-11