(2-phenylchroman-6-yloxy)acetonitrile | 488847-49-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (2-phenylchroman-6-yloxy)acetonitrile
• 英文别名: 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]acetonitrile
• CAS: 488847-49-0
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: METBKXJDSVZSPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  449.0±45.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-phenylchroman-6-yloxy)acetonitrile 、 乙二胺 在 盐酸 、 乙醇 作用下， 以 乙醇 为溶剂， 生成 2-(2-phenylchroman-6-yloxymethyl)4,5-dihydro 1H-imidazole hydrochloride
  参考文献：
  名称：

  JP2005/504738

  摘要：

  公开号：
• 作为产物：
  描述：

  2-phenyl-chroman-6-ol 、 氯乙腈 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 (2-phenylchroman-6-yloxy)acetonitrile
  参考文献：
  名称：

  JP2005/504738

  摘要：

  公开号：

文献信息

• Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias
  申请人：——

  公开号：US20040235905A1

  公开（公告）日：2004-11-25

  Therapeutically active compounds of formula (I): wherein X is —O—, —CH 2 — or —C(O)—; Z is —CHR 9 — or valence bond; Y is —CH 2 —, —C(O)—, CH(OR 10 )—, —CH(NR 11 R 12 )—, —O—, —S—, —S(O)— or —S(O 2 )—, provided that in case Z is a valence bond, Y is not C(O); the dashed line represents an optional double bond in which case Z is —CR 9 — and Y is —CH—, C(OR 10 )— or —C(NR 11 R 12 )—; R 1 is —(CH 2 ) n NR 4 R 7 or one of the following groups: n is 1-4; R 2 and R 3 are independently H, lower alkyl, lower alkoxy, —NO 2 , halogen, —CF 3 , —OH, —NHR 8 or —COOH, R 4 and R 7 are independently H, lower alkyl or lower hydroxyalkyl; R 5 is H, lower alkoxy, —CF 3 , —NH 2 or —CN; R 6 is —NO 2 , —NR 14 R 19 , —CF 3 or R 8 and R 16 are independently H or acyl; R 9 is H or lower alkyl; R 10 is H, alkylsulfonyl or acyl; R 11 and R 12 are independently H, lower alkyl or acyl; R 13 and R 18 are independently H or —OR 20 ; R 14 and R 19 are independently H, acyl, alkylsulfonyl, C(S)NHR 17 or C(O)NHR 17 ; R 15 is H or NH 2 ; R 17 is H or lower alkyl; R 20 is H or acyl; and pharmaceutically acceptable salts and esters thereof are disclosed. The compounds are potent inhibitors of Na + /Ca 2+ exchange mechanism. 1

  公式（I）中的治疗活性化合物：其中X是—O—，—CH2—或—C（O）—; Z是—CHR9—或价键; Y是—CH2—，—C（O）—，CH（OR10）—，—CH（NR11R12）—，—O—，—S—，—S（O）—或—S（O2）—，前提是如果Z是价键，则Y不是C（O）; 虚线表示可选的双键，在这种情况下Z是—CR9—，Y是—CH—，C（OR10）—或—C（NR11R12）—; R1是—（CH2）nNR4R7或以下组之一：n为1-4; R2和R3独立地为H，较低的烷基，较低的烷氧基，—NO2，卤素，—CF3，—OH，—NHR8或—COOH，R4和R7独立地为H，较低的烷基或较低的羟基烷基; R5为H，较低的烷氧基，—CF3，—NH2或—CN; R6为—NO2，—NR14R19，—CF3或R8和R16独立地为H或酰基; R9为H或较低的烷基; R10为H，烷基磺酰基或酰基; R11和R12独立地为H，较低的烷基或酰基; R13和R18独立地为H或—OR20; R14和R19独立地为H，酰基，烷基磺酰基，C（S）NHR17或C（O）NHR17; R15为H或NH2; R17为H或较低的烷基; R20为H或酰基; 其药学上可接受的盐和酯被披露。这些化合物是钠/钙交换机制的有效抑制剂。
• Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias
  申请人：Orion Corporation

  公开号：US07425568B2

  公开（公告）日：2008-09-16

  Therapeutically active compounds of formula (I): wherein the variables shown in formula (I) are defined in the disclosure; and pharmaceutically acceptable salts and esters thereof. The compounds are potent inhibitors of the Na+/Ca2+ exchange mechanism.

  式(I)中所示的治疗活性化合物：其中在式(I)中所示的变量在本文中有定义；以及其药学上可接受的盐和酯。这些化合物是钠/钙交换机制的强效抑制剂。
• COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS
  申请人：Orion Corporation

  公开号：EP1412343B1

  公开（公告）日：2006-08-30
• NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS
  申请人：ORION CORPORATION

  公开号：EP1412343A1

  公开（公告）日：2004-04-28
• US7425568B2
  申请人：——

  公开号：US7425568B2

  公开（公告）日：2008-09-16