3-(二甲氨基)-1-(6-甲氧基萘-2-基)丙烷-1-酮 | 58927-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-(二甲氨基)-1-(6-甲氧基萘-2-基)丙烷-1-酮
• 英文名称: Dimethylaminoethyl-<6-methoxy-naphthyl-(2)>-keton
• 英文别名: 3-dimethylamino-1-(6-methoxy-[2]naphthyl)-propan-1-one；3-Dimethylamino-1-(6-methoxy-[2]naphthyl)-propan-1-on；1-Propanone, 3-(dimethylamino)-1-(6-methoxy-2-naphthalenyl)-；3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
• CAS: 58927-59-6
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: UTXOQLPFCFEHCO-UHFFFAOYSA-N

物化性质

• 熔点：
  77-79 °C
• 沸点：
  404.7±25.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(二甲氨基)-1-(6-甲氧基萘-2-基)丙烷-1-酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-ol
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

  摘要：

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.021
• 作为产物：
  描述：

  聚合甲醛 、 6-甲氧基-2-乙酰萘 、 盐酸二甲胺 生成 3-(二甲氨基)-1-(6-甲氧基萘-2-基)丙烷-1-酮
  参考文献：
  名称：

  Preparation of 3-(6-Methoxynaphthyl-2)-2-cyclohexen-1-one and Related Compounds

  摘要：

  DOI：

  10.1021/ja01117a517

文献信息

• SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200345661A1

  公开（公告）日：2020-11-05

  α-NETA analogs are provided for the treatment of inflammatory disease.

  α-NETA类似物用于治疗炎症性疾病。
• 317. Polycyclic systems. Part VI. Synthesis of hydrochrysene and hydrophenanthrene derivatives
  作者：D. Nasipuri、J. Roy

  DOI：10.1039/jr9600001571

  日期：——
• Guette,M.; Lucas,M., Bulletin de la Societe Chimique de France, 1975, p. 2759 - 2762
  作者：Guette,M.、Lucas,M.

  DOI：——

  日期：——
• GUETTE M.; LUCAS M., BULL. SOC. CHIM. FRANCE <BSCF-AS>, 1975, NO 11-12, PART. 2,2759-2762
  作者：GUETTE M.、 LUCAS M.

  DOI：——

  日期：——
• Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors
  作者：Ki-Ho Lee、Chun-Eung Park、Kyung-Hyun Min、Yong-Je Shin、Coo-Min Chung、Hui-Ho Kim、Hae-Jeoung Yoon、Won-Kim、Eun-Ju Ryu、Yu-Jin Shin、Hyun-Sik Nam、Jeong-Woo Cho、Hee-Yoon Lee

  DOI：10.1016/j.bmcl.2010.07.021

  日期：2010.9

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.