2-Dimethylamino-5,5-dimethyl-1,3-dioxan | 62999-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-Dimethylamino-5,5-dimethyl-1,3-dioxan
• 英文别名: n,n,5,5-Tetramethyl-1,3-dioxan-2-amine
• CAS: 62999-86-4
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: OQVXZYBHZOTQHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 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：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Dimethylamino-5,5-dimethyl-1,3-dioxan 以 乙醚 为溶剂， 反应 14.0h， 生成 5,5-二甲基-2-苯基-1,3-二恶烷
  参考文献：
  名称：

  Walther, H.; Haase, L.; Gross, H., Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 902 - 908

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 2,2-二甲基-1,3-丙二醇 以95.4%的产率得到2-Dimethylamino-5,5-dimethyl-1,3-dioxan
  参考文献：
  名称：

  A solution and solid state conformation of 2-diphenylphosphinoyl-1,3-dioxanes. The nature of O-C-P anomeric interactions.

  摘要：

  Diastereoisomeric 2-diphenylphosphinoyl-1,3-dioxanes 1-4 were synthesized either via the Arbuzov reaction of isopropyl diphenylphosphinite with (1,3-dioxan-2-yl)trimethylammonium iodides or via the transacetalization reaction between 1,3-diols and diphenyl(diethoxymethyl)phosphine oxide. The latter reaction afforded less thermodynamically stable isomers of 3 and 4 in a good yield (44 and 56%, respectively). The magnitude of the anomeric effect in this system determined according to the Franck's equation was found to be 19.7 kJ/mol. Both the NMR and X-ray structural data concerning cis-4,6-dimethyl-1, 3-dioxane derivatives 4 suggest that the anomeric effect could stem from several interactions, including the n(o)-sigma*c-p negative hyperconjugation and intramolecular hydrogen bond formation.

  DOI：

  10.1016/s0040-4020(01)92198-2

文献信息

• [EN] PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL) PHENYL] UREAS AND INTERMEDIATES THEREOF<br/>[FR] METHODES DE PREPARATION DE N-ARYL-N'-[3-(1H-PYRAZOL-5-YL) PHENYLUREES] SUBSTITUEES ET LEURS INTERMEDIAIRES
  申请人：ARENA PHARM INC

  公开号：WO2005103011A1

  公开（公告）日：2005-11-03

  The present invention is directed to processes for the preparation of substituted phenylpyrazole ureas of Formula (I), that are useful as 5-HT2A serotonin receptor modulators for the treatment of disease.

  本发明涉及制备Formula (I)中取代苯基吡唑脲的方法，该方法可用作治疗疾病的5-HT2A 5-羟色胺受体调节剂。
• Processes for Preparing Substituted N-Aryl-N'-[3-(1H-Pyrazol-5-Yl) Phenyl] Ureas and Intermediates Thereof
  申请人：Fritch Robert John

  公开号：US20070293685A1

  公开（公告）日：2007-12-20

  The present invention is directed to processes for the preparation of substituted phenylpyrazole ureas of Formula (I), that are useful as 5-HT 2A serotonin receptor modulators for the treatment of disease.

  本发明涉及制备公式（I）的取代苯基吡唑脲化合物的方法，其可用作5-HT2A 5-羟色胺受体调节剂，用于治疗疾病。
• GROSS H.; COSTISELLA B.; KEITEL I.; WALTHER H.; HAASE L., J. PRAKT. CHEM., 1980, 322, NO 6, 902-908
  作者：GROSS H.、 COSTISELLA B.、 KEITEL I.、 WALTHER H.、 HAASE L.

  DOI：——

  日期：——
• PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL)PHENYL] UREAS AND INTERMEDIATES THEREOF
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP1727803B1

  公开（公告）日：2012-03-07
• US7812176B2
  申请人：——

  公开号：US7812176B2

  公开（公告）日：2010-10-12