1-(2-溴乙基)-4-(甲氧基甲基)苯 | 104060-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-溴乙基)-4-(甲氧基甲基)苯
• 英文名称: 1-(2-bromoethyl)-4-(methoxymethyl)benzene
• 英文别名: 4-(methoxymethyl)phenylethyl bromide；1-(methoxymethyl)-4-(2-bromoethyl)benzene
• CAS: 104060-25-5
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: ZOXGGJAWWUDXSB-UHFFFAOYSA-N

物化性质

• 沸点：
  255.5±20.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙基)-4-(甲氧基甲基)苯 在 sodium sulfite 作用下， 生成
  参考文献：
  名称：

  New pyridazine endothelin antagonists

  摘要：

  公开号：

  EP1191026B1
• 作为产物：
  描述：

  4-(2-溴乙基)苯甲酸乙酯 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 paraffin oil 为溶剂， 反应 2.08h， 生成 1-(2-溴乙基)-4-(甲氧基甲基)苯
  参考文献：
  名称：

  Discovery and Pharmacological Profile of New 1H-Indazole-3-carboxamide and 2H-Pyrrolo[3,4-c]quinoline Derivatives as Selective Serotonin 4 Receptor Ligands

  摘要：

  Since the discovery of the serotonin 4 receptor (5-HT4R), a large number of receptor ligands have been studied. The safety concerns and the lack of market success of these ligands have mainly been attributed to their lack of selectivity. In this study we describe the discovery of N-[(4- piperidinyl)methyl]-1H-indazole-3-carboxamide and 4-[(4-piperidinyl)methoxy]-2H-pyrrolo[3,4-c]quinoline derivatives as new 5-HT4R ligands endowed with high selectivity over the serotonin 2A receptor and human ether-a-go-go-related gene potassium ion channel. Within these series, two molecules (11ab and 12g) were identified as potent and selective 5-HT4R antagonists with good in vitro pharmacokinetic properties. These compounds were evaluated for their antinociceptive action in two analgesia animal models. 12g showed a significant antinociceptive effect in both models and is proposed as an interesting lead compound as a 5-HT4R antagonist with analgesic action.

  DOI：

  10.1021/jm300573d

文献信息

• NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20160168139A1

  公开（公告）日：2016-06-16

  There is provided a morpholine derivative represented by General Formula [1A] or a salt thereof. (In the formula, a ring A represents a ring represented by General Formula [I]; * represents a bonding position; Z 2 represents CH or the like; Z 1 represents CR 6 or the like; R 6 represents a hydrogen atom or the like; X 1 represents CHR 7 or the like; R 7 represents a hydrogen atom or the like; X 2 represents CH 2 or the like; R 1 and R 2 are the same as or different from each other, and each of R 1 and R 2 represents a hydrogen atom or the like; R 3 , R 4 , and R 5 are the same as or different from each other, and each of R 3 , R 4 , and R 5 represents a hydrogen atom, NR a R b , or the like; and each of R a and R b represents a hydrogen atom, a C 1-8 alkyl group which may have a substituent, or the like.)

  提供一种由通用式[1A]表示的吗啉衍生物或其盐。 （在该式中，环A代表由通用式[I]表示的环；*代表连接位置；Z 2 代表CH或类似物；Z 1 代表CR 6 或类似物；R 6 代表氢原子或类似物；X 1 代表CHR 7 或类似物；R 7 代表氢原子或类似物；X 2 代表CH 2 或类似物；R 1 和R 2 相同或不同，且R 1 和R 2 中的每一个代表氢原子或类似物；R 3 ，R 4 和R 5 相同或不同，且R 3 ，R 4 和R 5 中的每一个代表氢原子，NR a R b 或类似物；R a 和R b 中的每一个代表氢原子，可能具有取代基的C 1-8 烷基基团，或类似物。）
• [EN] COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT<br/>[FR] COMPOSÉ PRÉSENTANT UNE ACTIVITÉ SÉROTONINERGIQUE, SON PROCÉDÉ DE FABRICATION ET COMPOSITION PHARMACEUTIQUE LA COMPRENANT
  申请人：ACRAF

  公开号：WO2010012611A1

  公开（公告）日：2010-02-04

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  化合物的化学式（I），其中R1、R2和R3在以下描述中定义，并其药学上可接受的酸加合物或碱加合物盐。本发明还涉及用于制备该化合物的过程和中间体，以及包含它的药物组合物。本发明还涉及使用一种新型2H-吡咯并[3,4-c]喹啉化合物制备对5-羟色胺系统紊乱治疗有效的药物组合物。
• Antihypertensive dihydropyridine compositions, optical isomers and
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04672071A1

  公开（公告）日：1987-06-09

  Compositions containing dihydropyridine derivatives which are useful for treating congestive heart failure, hypertension, or angina have the formula: ##STR1## or a pharmaceutically acceptable acid addition salt thereof, wherein n is an integer from 0 to 8; Y is --O--, --NH--, --NR.sub.2 --, --S--, --S(O)--, --S(O).sub.2 --, or a bond; R.sub.1 and R.sub.2 are each independently A.sub.1, A.sub.2, A.sub.3 or A.sub.4 where A.sub.1 is --(CH.sub.2).sub.m (CHOH).sub.p CH.sub.2 OH; A.sub.2 is --(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.s OH].sub.r ; A.sub.3 is --(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.p COOR.sub.3 ].sub.r ; and A.sub.4 is --(CH.sub.2).sub.m COOR.sub.3 ; where m is an integer from 1 to 8; p is an integer from 0 to 4; q is an integer from 0 to 8; r is 2 or 3; s is an integer from 1 to 4; and R.sub.3 is H or alkyl of 1 to 18 carbon atoms; R.sub.4 is --NO.sub.2, --CF.sub.3, or halo; and R.sub.5 is lower alkyl or --CH.sub.2 CH.sub.2 OCH.sub.3. Also disclosed are optical isomers of the above compounds, as well as intermediates in the preparation of these final products.

  含有二氢吡啶衍生物的组合物可用于治疗充血性心力衰竭、高血压或心绞痛，其化学式为：##STR1##或其药用可接受的酸盐，其中n是从0到8的整数；Y是--O--，--NH--，--NR.sub.2--，--S--，--S(O)--，--S(O).sub.2--，或者一个键；R.sub.1和R.sub.2各自独立地是A.sub.1，A.sub.2，A.sub.3或A.sub.4，其中A.sub.1是--(CH.sub.2).sub.m(CHOH).sub.pCH.sub.2OH；A.sub.2是--(CH.sub.2).sub.qCH.sub.(3-r)[(CH.sub.2).sub.sOH].sub.r；A.sub.3是--(CH.sub.2).sub.qCH.sub.(3-r)[(CH.sub.2).sub.pCOOR.sub.3].sub.r；A.sub.4是--(CH.sub.2).sub.mCOOR.sub.3；其中m是从1到8的整数；p是从0到4的整数；q是从0到8的整数；r是2或3；s是从1到4的整数；R.sub.3是H或1到18个碳原子的烷基；R.sub.4是--NO.sub.2，--CF.sub.3或卤素；R.sub.5是较低烷基或--CH.sub.2CH.sub.2OCH.sub.3。还披露了上述化合物的光学异构体，以及制备这些最终产品的中间体。
• Antihypertensive dihydropyridine derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04595690A1

  公开（公告）日：1986-06-17

  Novel dihydropyridine derivatives which are useful for treating congestive heart failure, hypertension, and angina have the formula 1: ##STR1## or a pharmaceutically acceptable acid addition salt thereof, wherein: n is an integer from 0 to 8; Y is --O, --NH, --NR.sub.2, --S, --S(O), --S(O).sub.2, or a bond; R.sub.1 and R.sub.2 are each independently A.sub.1, A.sub.2, A.sub.3 or A.sub.4 where: A.sub.1 is --(CH.sub.2).sub.m (CHOH).sub.p CH.sub.2 OH; A.sub.2 is --(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.s OH].sub.r ; A.sub.3 is --(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.p COOR.sub.3 ].sub.r ; and A.sub.4 is --(CH.sub.2).sub.m COOR.sub.3 ; where: m is an integer from 1 to 8; p is an integer from 0 to 4; q is an integer from 0 to 8; r is 2 or 3; s is an integer from 1 to 4; and R.sub.3 is H or alkyl of 1 to 18 carbon atoms; R.sub.4 is --NO.sub.2, --CF.sub.3, or halo; and R.sub.5 is lower alkyl or --CH.sub.2 CH.sub.2 OCH.sub.3.

  具有以下公式1的新型二氢吡啶衍生物，可用于治疗充血性心力衰竭、高血压和心绞痛，或其药学上可接受的酸加成盐，其中：n为0到8之间的整数；Y为--O、--NH、--NR.sub.2、--S、--S(O)、--S(O).sub.2或键；R.sub.1和R.sub.2各自独立地为A.sub.1、A.sub.2、A.sub.3或A.sub.4，其中：A.sub.1为--(CH.sub.2).sub.m (CHOH).sub.p CH.sub.2 OH；A.sub.2为--(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.s OH].sub.r；A.sub.3为--(CH.sub.2).sub.q CH.sub.(3-r) [(CH.sub.2).sub.p COOR.sub.3].sub.r；A.sub.4为--(CH.sub.2).sub.m COOR.sub.3；其中：m为1到8之间的整数；p为0到4之间的整数；q为0到8之间的整数；r为2或3；s为1到4之间的整数；R.sub.3为H或1到18个碳原子的烷基；R.sub.4为--NO.sub.2、--CF.sub.3或卤素；R.sub.5为低烷基或--CH.sub.2 CH.sub.2 OCH.sub.3。
• COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT
  申请人：Alisi Maria Alessandra

  公开号：US20110160201A1

  公开（公告）日：2011-06-30

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  公式（I）的复合物，其中R1、R2和R3的定义如下所述，并且其药学上可接受的酸加成物或碱加成物盐。本发明还涉及一种制备它的过程和中间体，以及包含它的制药组合物。本发明还涉及使用一种新的2H-吡咯并[3,4-c]喹啉化合物制备具有治疗5-羟色胺系统紊乱活性的制药组合物。