C-(2-methyl-cyclohexyl)-methylamine | 40015-91-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: C-(2-methyl-cyclohexyl)-methylamine
• 英文别名: 2-Methyl-hexahydrobenzylamin；1¹-Amino-1.2-dimethyl-cyclohexan；1-Methyl-2-aminomethyl-cyclohexan；(2-Methylcyclohexyl)methanamine
• CAS: 40015-91-6
• 化学式: C₈H₁₇N
• 分子量: 127.23
• InChiKey: YNCOJHDAHDQVOG-UHFFFAOYSA-N

物化性质

• 沸点：
  103-105 °C(Press: 80 Torr)
• 密度：
  0.841±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基环己基甲醛 在 imine reductase from Streptomyces ipomoeae 、 氨 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 C-(2-methyl-cyclohexyl)-methylamine
  参考文献：
  名称：

  利用亚胺还原酶的α-支链醛类的动力学动力学拆分合成β-手性胺

  摘要：

  亚胺还原酶（IRED）可通过酮的还原胺化一步制备旋光性仲胺和叔胺。到目前为止，通过这种方法主要制备了α-手性胺。在这项研究中，我们探索了合成β-手性胺的可能性，β-手性胺在药物中也经常被发现是结构性基序，但由于以下原因，制备难度更大：（i）醛底物已经含有手性中心，需要进行消旋，以实现完全转化。（ii）由于中间体亚胺的立体中心有两个碳原子靠近亚胺氮，因此与α-手性胺合成相比，实现高对映选择性更具挑战性。为了调查概念证明，我们首先证实，与5种不同的胺底物结合使用时，不同的IRED能够转化多种α-支链醛。来自的IRED链霉菌是促进2-苯基丙醛和取代的2-甲基-3-苯基丙醛动力学动力学拆分的合适酶：获得了相应的N-甲基化的β-手性胺，转化率> 95％，ee分别为78和95％。形成的其他胺的对映体过量较低至中等。这证明了IRED在一步法合成仲β-手性胺中的潜力，但也为鉴定所需胺产物的高选择性酶带来了挑战。

  DOI：

  10.1002/cctc.201900806

文献信息

• SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF
  申请人：Merla Beatrix

  公开号：US20090076086A1

  公开（公告）日：2009-03-19

  Substituted nicotinamide compounds corresponding to formula I a process for their preparation, pharmaceutical compositions containing these compounds, and the use thereof for the treatment or inhibition conditions such as pain, epilepsy, migraine, anxiety states, or urinary incontinence.

  替代烟酰胺化合物对应于公式I的制备方法，含有这些化合物的药物组合物，以及将其用于治疗或抑制疼痛、癫痫、偏头痛、焦虑状态或尿失禁等疾病的用途。
• MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES
  申请人：Vielhaber Gabriele

  公开号：US20130129646A1

  公开（公告）日：2013-05-23

  The present invention relates to the cosmetic, dermatological or pharmaceutical (therapeutic) use of compounds of formula (I) or a cosmetically acceptable salt of a compound of formula (I) or a mixture containing two or more of these compounds or the salts thereof wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that a 3 to 8 membered ring is formed, for the lightening of skin and/or hair. The invention further relates to compositions and cosmetic, dermatological or pharmaceutical preparations (compositions) comprising one or more compounds of formula (I) suitable for lightening human skin and/or hair and corresponding methods. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition for lightening human skin and/or hair and to certain novel compounds of formula (I).

  本发明涉及化妆品、皮肤科或药用（治疗）用途的化合物的使用，其化学式为（I）或者化学式（I）的化妆品可接受的盐，或者含有两种或更多这些化合物或其盐的混合物，其中R1代表氢或具有1至14个碳原子的有机基，R2代表具有1至14个碳原子的有机基，可选地R1和R2彼此共价结合，最好形成3至8成员环，用于美白皮肤和/或头发。该发明还涉及包含一种或多种化学式（I）化合物的组合物和适用于美白人类皮肤和/或头发的化妆品、皮肤科或药用制剂（组合物）及相应的方法。该发明还涉及化学式（I）化合物作为药物，其用于制备用于美白人类皮肤和/或头发的药用组合物以及某些新的化学式（I）化合物。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS
  申请人：Meyer Imke

  公开号：US20130137710A1

  公开（公告）日：2013-05-30

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as anti-cellulite actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising such compounds of formula (I), which are preferably suitable for the prophylaxis (prevention) and cosmetic treatment (combating) of cellulite in human beings, corresponding methods and novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子（I）所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤科或治疗用途，优选作为抗脂肪纹活性剂。本发明还涉及包含该式（I）化合物的组合物和化妆品、皮肤科或治疗产品，这些化合物优选用于人类的脂肪纹预防和美容治疗，以及相应的方法和新型式（I）化合物。其中，A表示......，X、Y和Z分别独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团彼此共价结合形成二环环系统，在这样的二环环系统中，X、Y和Z中的两个基团一起优选形成具有1至4个碳原子的基团，优选为具有1至3个碳原子的碳氢基团，B表示NR1R2，其中R1表示氢或具有1至14个碳原子的有机基团，R2表示具有1至14个碳原子的有机基团，可选地，R1和R2彼此共价结合，优选使得B为3至8个成员的环。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES
  申请人：Vielhaber Gabriele

  公开号：US20130156710A1

  公开（公告）日：2013-06-20

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as skin and/or hair lightening (whitening) actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising one or more compounds of formula (I) suitable for lightening human skin and/or hair and corresponding methods. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition for lightening human skin and/or hair and to novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 , R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子(I)所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤学或治疗用途，优选作为皮肤和/或头发美白活性剂。本发明还涉及含有一个或多个式(I)化合物的组合物和化妆品、皮肤学或治疗产品，适用于美白人类皮肤和/或头发以及相应的方法。本发明还涉及式(I)化合物作为药物，其用于制备用于美白人类皮肤和/或头发的制药组合物，以及式(I)的新化合物，其中A表示其中X、Y和Z彼此独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团在形成二环环系的情况下共价键结在一起，这样，在这样的二环环系中，X、Y和Z中的两个基团首选形成具有1到4个碳原子的基团，优选为具有1到3个碳原子的碳氢基团；B表示NR1、R2，其中R1表示氢或具有1到14个碳原子的有机基团，R2表示具有1到14个碳原子的有机基团，可选地，R1和R2彼此共价键结，优选使得B为3到8个成员的环。
• Cyclohexyl carbamate compounds as anti-ageing actives
  申请人：Symrise AG

  公开号：EP2389922A1

  公开（公告）日：2011-11-30

  The present invention relates to the cosmetic, dermatological or therapeutic use of compounds of formula (I) given below, in particular as anti-ageing actives. wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR1R2, wherein R1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R1 and R2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring. The invention further relates to corresponding methods and to compositions and cosmetic, dermatological or pharmaceutical preparations (compositions) comprising one or more compounds of formula (I) and one or more further anti-ageing actives. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition and to certain novel compounds of formula (I).

  本发明涉及以下式子(I)的化合物在化妆品、皮肤科或治疗中的使用，特别是作为抗衰老活性物质。 其中， A代表 其中，X、Y和Z分别独立地表示氢、C1-C4烷基或C2-C4烯基， 其中，可选地，X、Y和Z中的两个基团在形成二环环系的同时共价键合在一起，这样，在这样的二环环系中，X、Y和Z中的两个基团一起优选形成具有1到4个碳原子的基团，优选是指1到3个碳原子的碳氢基团， B代表NR1R2， 其中， R1代表氢或具有1到14个碳原子的有机基团， R2代表具有1到14个碳原子的有机基团， 并且可选地，R1和R2共价键合在一起，优选是使B成为3到8成员环。 本发明还涉及相应的方法、包含一个或多个式(I)化合物和一个或多个进一步的抗衰老活性物质的组合物和化妆品、皮肤科或制药制剂(组合物)。本发明还涉及式(I)化合物作为药物、其用于制备制药组合物以及某些新的式(I)化合物。