trans-2-methylaminomethyl-1-cyclohexanol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-2-methylaminomethyl-1-cyclohexanol
• 英文别名: Cyclohexanol, 2-(methylaminomethyl)-, trans-；(1R,2S)-2-(methylaminomethyl)cyclohexan-1-ol
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: QJBNIGRBINVWPM-JGVFFNPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-2-methylaminomethyl-1-cyclohexanol 在 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 (4aR,8aR)-3-methyl-N-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-imine
  参考文献：
  名称：

  Stereochemical studies, 881. Saturated heterocycles, 83

  摘要：

  DOI：

  10.1016/s0040-4020(01)91438-3
• 作为产物：
  描述：

  N-methyl-trans-2-hydroxycyclohexane-1-carboxamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 50.0h， 生成 trans-2-methylaminomethyl-1-cyclohexanol
  参考文献：
  名称：

  Gera, L.; Bernath, G.; Sohar, P., Acta Chimica Academiae Scientiarum Hungaricae, 1980, vol. 105, # 4, p. 293 - 302

  摘要：

  DOI：

文献信息

• PYRIMIDINE COMPOUND
  申请人：Matsushima Yuji

  公开号：US20110053912A1

  公开（公告）日：2011-03-03

  A novel and excellent method for preventing and/or treating diseases related to a cannabinoid type 2 receptor, based on an agonistic action on a cannabinoid type 2 receptor. It was found that a hetero ring derivative mainly having two substituents, for example, a pyrimidine-5-carboxamide derivative having a substituent amino group at the 2-position, exhibits a potent agonistic action on a cannabinoid type 2 receptor, and can be an agent for preventing and/or treating diseases related to a cannabinoid type 2 receptor such as inflammatory diseases, pain, and the like.

  一种预防和/或治疗与大麻素2型受体相关疾病的新颖优秀方法，基于对大麻素2型受体的激动作用。发现一种异核环衍生物主要具有两个取代基，例如，在2-位置具有取代基氨基的嘧啶-5-羧酰胺衍生物，表现出对大麻素2型受体的强效激动作用，可以成为预防和/或治疗与大麻素2型受体相关疾病，如炎症性疾病、疼痛等的药物。
• Conformational Study of Some Saturated 2-[Bis(2-chloroethyl)amino]-1,3,2-benzoxazaphosphorinane 2-Oxides
  作者：Tapio Viljanen、Petri Tähtinen、Kalevi Pihlaja、Ferenc Fülöp

  DOI：10.1021/jo971490p

  日期：1998.2.1

  trans-fused 2-[bis(2-chloroethyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1,3,2-benzoxazaphosphorinane 2-oxides and their 3-methyl and 3-benzyl derivatives were performed by (1)H, (13)C, (31)P, and variable-temperature NMR methods. Depending on the P-2 configuration and the substituent on N-3, different equilibria between chair-chair and chair-twist-boat conformations were found for the trans-fused isomers. The N-3

  顺式和反式融合的2- [双（2-氯乙基）氨基] -3,4,4a，5,6,7,8,8a-八氢-1,3,2-苯并氮杂膦氧烷2-氧化物的构象分析它们的3-甲基和3-苄基衍生物是通过（1）H，（13）C，（31）P和可变温度NMR方法进行的。取决于P-2构型和N-3上的取代基，发现转椅异构体在椅子-椅子和椅子-扭曲-船构象之间的不同平衡。N-3取代基使平衡向椅柄方向移动，幅度为甲基>苄基>氢。在顺式异构体中，N-3取代基的性质会影响同一序列中O-in和O-out构象之间的平衡。
• Saturated heterocycles. Part<b>216</b>. Synthesis, structure and ring opening of<i>trans</i>-perhydro-1,4-benzoxazepin-3-one derivatives
  作者：Lajos Simon、S. Gizella Talpas、Ferenc Fülöp、Gábor Bernáth、Gyula Argay、Alajos Kálmán、PÁL Sohár

  DOI：10.1002/jhet.5570320126

  日期：1995.1

  the thiones 4a,b, the urea derivatives 5a,b, and N-acylated compounds 6a-e. Compounds 6b,d were ring-opened by hydrochloric acid in ethanol to yield trans-2-(1-carbethoxyethoxy)-1-acylaminomethylcyclohexane derivatives 7b,d. The 1H- and 13C-nmr investigation and X-ray analysis of 5b and 6c,d proved that the expected N-acylated derivatives were formed and that both rings of the trans anellated compounds

  合成了反式-Perhydro-1,4-苯并恶唑啉-3-酮2a-c并将其转化为缩合骨架的过氢-反式-1,4-苯并x氮杂3a，b，硫酮4a，b，尿素衍生物5a，b，和N-酰化的化合物6a-e。用盐酸在乙醇中将化合物6b，d开环，得到反式-2-（1-乙氧基乙氧基）-1-酰基氨基甲基环己烷衍生物7b，d。对5b和6c，d的1 H和13 C-nmr研究和X射线分析证明了预期的形成N-酰化的衍生物，并且反式芳构化合物的两个环均具有椅子构象。
• Synthesis and¹H and¹³C NMR structural analysis of<i>cis</i>- and<i>trans</i>-2-imino-1,3- and -3,1-perhydrobenzoxazines and their 3- and 1-<i>N</i>-methyl derivatives
  作者：Kalevi Pihlaja、Jari Sinkkonen、Ferenc Fülöp

  DOI：10.1002/mrc.1194

  日期：2003.6

  cis- and trans-2-imino-1,3- and -3,1-perhydrobenzoxazines and the N-methyl derivatives of the latter were synthesized from the corresponding cyclic 1,3-amino alcohol with cyanogen bromide. The configurations of the studied compounds were confirmed by 1H and 13C NMR spectra. All trans-fused compounds exist in biased chair–chair conformations as expected, whereas the cis-fused 1,3-benzoxazines attain exclusively the O-in conformations. The cis-fused 3,1-benzoxazines, especially the 1-methyl-substituted derivatives, tend to favor the N-out form, obviously owing to the favorable axial orientation of this N-methyl. Copyright © 2003 John Wiley & Sons, Ltd.

  顺式和反式-2-亚氨基-1,3-和-3,1-全氢苯并恶嗪以及后者的 N-甲基衍生物是由相应的环 1,3- 氨基醇与溴化氰合成的。1H 和 13C NMR 光谱证实了所研究化合物的构型。所有反式融合的化合物都如预期的那样以偏椅椅构象存在，而顺式融合的 1,3-苯并噁嗪则完全是 O-内构象。顺式融合的 3,1-苯并噁嗪，尤其是 1-甲基取代的衍生物，倾向于 N 出构型，这显然是由于 N-甲基的轴向取向有利。Copyright © 2003 John Wiley & Sons, Ltd. All Rights Reserved.
• COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS
  申请人：Hart Terance William

  公开号：US20090048230A1

  公开（公告）日：2009-02-19

  The present invention relates to the use of a 2-cyanopyrimidine compound of the formula wherein R 1 , R 2 , R 3 and X are as defined in the specification and in the claims, in free form or in salt form, and, where possible, in tautomeric form, as an inhibitor of the activity of cathepsin S.

  本发明涉及使用式中R1、R2、R3和X如规范和权利要求中定义的2-氰基嘧啶化合物的自由形式或盐形式及在可能的情况下互变异构体形式，作为猫hepsin S活性的抑制剂。