5-环己基-5-甲基咪唑烷-2,4-二酮 | 6326-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 5-环己基-5-甲基咪唑烷-2,4-二酮
• 英文名称: 5-cyclohexyl-5-methylhydantoin
• 英文别名: 5-cyclohexyl-5-methylimidazolidine-2,4-dione；5-methyl-5-cyclohexylhydantoin；5-cyclohexyl-5-methyl-imidazolidine-2,4-dione；5-Cyclohexyl-5-methyl-imidazolidin-2,4-dion；4-Cyclohexyl-4-methyl-2.5-dioxo-imidazolidin
• CAS: 6326-77-8
• 化学式: C₁₀H₁₆N₂O₂
• mdl: MFCD08271824
• 分子量: 196.249
• InChiKey: YBMOLUUAPATTDX-UHFFFAOYSA-N

物化性质

• 熔点：
  204-205 °C
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  5-环己基-5-甲基咪唑烷-2,4-二酮 在 正丁基锂 、 potassium carbonate 、 caesium carbonate 、 臭氧 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.5h， 生成 3-(2-(1-(tert-butyl)-1H-pyrazol-4-yl)-2-hydroxyethyl)-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
  参考文献：
  名称：

  COMPOUNDS USEFUL AS MODULATORS OF TRPM8

  摘要：

  本发明包括作为TRPM8调节剂有用的化合物，例如式(Ia)、(Ib)和(Ic)的化合物，以及其亚属和种类；含有这些化合物的个人产品；以及利用这些化合物和个人产品，特别是利用增加或诱导化学感觉，如凉爽或冷感觉。

  公开号：

  US20150376136A1
• 作为产物：
  描述：

  5-甲基-5-苯基乙内酰脲 在 盐酸 、 铂 作用下， 生成 5-环己基-5-甲基咪唑烷-2,4-二酮
  参考文献：
  名称：

  Some 5,5-Disubstituted Hydantoins

  摘要：

  DOI：

  10.1021/ja01243a006

文献信息

• N-substituted heterocyclic derivatives, their preparation and the
  申请人：Elf Sanofi

  公开号：US05270317A1

  公开（公告）日：1993-12-14

  The invention relates to N-substituted heterocyclic derivatives and its salts. These derivatives have the formula ##STR1## in which the substituents are as defined in the specification. Application: Angiotensin II antagonists

  这项发明涉及N-取代杂环衍生物及其盐。这些衍生物的化学式为##STR1##其中取代基如规范中所定义。应用：血管紧张素Ⅱ拮抗剂
• N-substituted heterocyclic derivatives useful in the treatment of
  申请人：Elf Sanofi, A French Corp.

  公开号：US05274104A1

  公开（公告）日：1993-12-28

  The present invention relates to N-substituted heterocyclic derivatives of formula: ##STR1## processes for their preparation, and pharmaceutical compositions which contain them. The compounds according to the invention are non-peptide compounds which oppose the action of angiotensin II. The compounds according to the invention are thus useful in the treatment of cardiovascular disorders such as hypertension and heart failure.

  本发明涉及公式为N-取代杂环衍生物的化合物，其制备方法以及含有它们的药物组合物。根据本发明的化合物是非肽类化合物，可以对抗血管紧张素II的作用。因此，根据本发明的化合物在治疗高血压和心力衰竭等心血管疾病方面具有用途。
• Dinitrogen heterocyclic derivatives N-substituted by a biphenylmethyl
  申请人：Elf Sanofi

  公开号：US05268375A1

  公开（公告）日：1993-12-07

  This invention relates to compounds of formula ##STR1## in which: R.sub.1 and R.sub.2 are similar or different and are each independently hydrogen or a group selected from CO.sub.2 N.dbd.C(NH.sub.2).sub.2, CONHNHCONH.sub.2, CONHNHCSNH.sub.2, C(OC.sub.2 H.sub.5).dbd.NCO.sub.2 CH.sub.3, COCH.sub.2 CO.sub.2 H.sub.5, N(OH)-CONHCOOC.sub.2 NCO.sub.2 CH.sub.3, COCH.sub.2 CO.sub.2 H.sub.5, N(OH)-CONHCOOC.sub.2 H.sub.5, C(OC.sub.2 H.sub.5).dbd.NH or a nitrogen heterocycle; with the proviso that at least one of the substituents R.sub.1 or R.sub.2 is other than hydrogen; R.sub.3 is a hydrogen, a C.sub.1 -C.sub.6 alkyl, a C.sub.2 -C.sub.6 alkenyl, a C.sub.3 -C.sub.7 cycloalkyl, a phenyl, a phenylalkyl, or a phenylalkenyl; R.sub.4 and R.sub.5 are each independently a C.sub.1 -C.sub.6 alkyl, a C.sub.3 -C.sub.7 cycloalkyl, a phenyl or a phenylalkyl; or R.sub.4 and R.sub.5, bonded together, are either a group of the formula (CH.sub.2).sub.n or a group of the formula (CH.sub.2).sub.p Y (CH.sub.2).sub.q, in which Y is either an oxygen atom, or a sulfur atom, or a substituted carbon atom, or a group N-R.sub.6, in which R.sub.6 is a hydrogen, a C.sub.1 -C.sub.4 alkyl, a phenylalkyl, a C.sub.1 -C.sub.4 alkylcarbonyl, a C.sub.1 -C.sub.4 halogenoalkylcarbonyl, a C.sub.1 -C.sub.4 polyhalogenoalkylcarbonyl, a benzolyl, an .alpha.-aminoacyl or a N-protecting group, or R.sub.4 and R.sub.5, together with the carbon atom to which they are bonded, form an indane or an adamantine; p+q=m; n is an integer between 2 and 11; m is an integer between 2 and 5; X is an oxygen or a sulfur atom; and z and t are zero or z+t=1; and its salts.

  这项发明涉及以下结构的化合物：其中：R.sub.1和R.sub.2类似或不同，并且分别独立地是氢或从CO.sub.2 N.dbd.C(NH.sub.2).sub.2、CONHNHCONH.sub.2、CONHNHCSNH.sub.2、C(OC.sub.2 H.sub.5).dbd.NCO.sub.2 CH.sub.3、COCH.sub.2 CO.sub.2 H.sub.5、N(OH)-CONHCOOC.sub.2 NCO.sub.2 CH.sub.3、COCH.sub.2 CO.sub.2 H.sub.5、N(OH)-CONHCOOC.sub.2 H.sub.5、C(OC.sub.2 H.sub.5).dbd.NH或氮杂环中选择的基团中的一个；但条件是R.sub.1或R.sub.2中至少有一个取代基不是氢；R.sub.3是氢、C.sub.1 -C.sub.6烷基、C.sub.2 -C.sub.6烯基、C.sub.3 -C.sub.7环烷基、苯基、苯基烷基或苯基烯基；R.sub.4和R.sub.5各自独立地是C.sub.1 -C.sub.6烷基、C.sub.3 -C.sub.7环烷基、苯基或苯基烷基；或者R.sub.4和R.sub.5结合在一起，要么是(CH.sub.2).sub.n式的基团，要么是(CH.sub.2).sub.p Y (CH.sub.2).sub.q式的基团，其中Y是氧原子、硫原子、取代碳原子或基团N-R.sub.6，其中R.sub.6是氢、C.sub.1 -C.sub.4烷基、苯基烷基、C.sub.1 -C.sub.4烷基羰基、C.sub.1 -C.sub.4卤代烷基羰基、C.sub.1 -C.sub.4多卤代烷基羰基、苯基、.alpha.-氨基酰基或N-保护基；或者R.sub.4和R.sub.5，连同它们连接的碳原子，形成茚或金刚烷；p+q=m；n是介于2和11之间的整数；m是介于2和5之间的整数；X是氧原子或硫原子；z和t为零或z+t=1；以及其盐。
• Compounds useful as modulators of TRPM8
  申请人：Firmenich Incorporated

  公开号：US10421727B2

  公开（公告）日：2019-09-24

  The present invention includes compounds useful as modulators of TRPM8, such as compounds of Formulae (Ia), (Ib) and (Ic), and the subgenus and species thereof; personal products containing those compounds; and the use of those compounds and the personal products, particularly the use of increasing or inducing chemesthetic sensations, such as cooling or cold sensations.

  本发明包括可用作 TRPM8 调节剂的化合物，如式（Ia）、（Ib）和（Ic）化合物及其亚属和种；含有这些化合物的个人用品；以及这些化合物和个人用品的用途，特别是增加或诱导化学麻醉感觉的用途，如冷却或冷感。
• Tiffeneau; Tchoubar; Saiaslambert, Bulletin de la Societe Chimique de France, 1947, p. 445,448
  作者：Tiffeneau、Tchoubar、Saiaslambert

  DOI：——

  日期：——