CAS: 845829-94-9; 1-Bromo-3-Fluoro-2-Methoxybenzene

该化合物是一种卤化芳香化合物,其成分为溴,氟和甲氧代金,在苯环上具有溴,氟和甲氧替代成分.其独特的替代模式使它在有机合成中成为有价值的中间体,特别是药品,农用化学品和先进材料.溴和氟的出现可以增强反应性,通过交叉反应或核循环替代使选择性的功能化.甲基氧基化合物进一步有助于电子调节,影响随后的转化中的再生选择性.该化合物的特点是高度纯度和稳定性,确保了要求合成应用的可靠性能.其多功能性和定义明确的再活动特征使得开发复杂分子结构的研究人员更愿意选择.

英文名称1-Bromo-3-Fluoro-2-Methoxybenzene
中文名称2-溴-6-氟苯甲醚
IUPAC名称1-bromo-3-fluoro-2-methoxybenzene
其它别名2-氟-6-溴苯甲醚; Benzene, 1-Bromo-3-Fluoro-2-Methoxy-
CAS编号845829-94-9
MFCD编号:MFCD04974125
EINECS号:801-554-3
分子式:C7H6BrFO
分子量:205.02
产品CID: 1834992
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: RLSQPLJXDTXSCL-UHFFFAOYSA-N
InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

沸点208.6±20.0 °C at 760 mmHg
闪点94.4±6.0°C
密度1.5±0.1 g/cm3
PSA:9.23
LogP:2.5968
折射率1.519
蒸汽压0.3±0.4 mmHg at 25°C
外观形态无色液体
储存条件置于阴暗处,密封, 常温干燥保存
产品应用该化合物用于制作作为C-JUN N-终止性血脉抑制剂的五氯硝基苯,其大脑渗透率良好.

MSDS等安全信息

GHS符号GHS07
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
水生慢性毒性类别3
严重眼刺激类别2A
警示词Warning
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H412 |对水生生物有害并具有长期持续影响.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT
危险品标志Xi

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

2040-89-3 = 845829-94-9
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 24 H,Rt
标题:Phenyl Acetate Derivatives,Fluorine-Substituted On The Phenyl Group,As Rapid Recovery Hypnotic Agents With Reflex Depression
作者:Zhang,Heng; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2015 卷标:89 页码:524-539]

1526-17-6 = 845829-94-9
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Rt; 6 H,80 °C2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 27 H,1 Atm,Rt3.1 Solvents: Water; Rt -> 0 °C3.2 Reagents: Hydrogen Bromide Solvents: Water; 0 °C; 10 Min,0 °C3.3 Reagents: Sodium Nitrite Solvents: Water; 1.5 H,< 5 °C3.4 Reagents: Copper Bromide (Cubr),Hydrogen Bromide Solvents: Water; < 5 °C; 2.5 H,60 °C
标题:Isothiazoloquinolones With Enhanced Antistaphylococcal Activities Against Multidrug-Resistant Strains: Effects Of Structural Modifications At The 6-,7-,And 8-Positions
作者:Wang,Qiuping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2007 卷标:50(2) 页码:199-210]

437-83-2 = 845829-94-9
反应条件:1.1 Solvents: Water; Rt -> 0 °C1.2 Reagents: Hydrogen Bromide Solvents: Water; 0 °C; 10 Min,0 °C1.3 Reagents: Sodium Nitrite Solvents: Water; 1.5 H,< 5 °C1.4 Reagents: Copper Bromide (Cubr),Hydrogen Bromide Solvents: Water; < 5 °C; 2.5 H,60 °C
标题:Isothiazoloquinolones With Enhanced Antistaphylococcal Activities Against Multidrug-Resistant Strains: Effects Of Structural Modifications At The 6-,7-,And 8-Positions
作者:Wang,Qiuping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2007 卷标:50(2) 页码:199-210]

484-94-6 = 845829-94-9
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 27 H,1 Atm,Rt2.1 Solvents: Water; Rt -> 0 °C2.2 Reagents: Hydrogen Bromide Solvents: Water; 0 °C; 10 Min,0 °C2.3 Reagents: Sodium Nitrite Solvents: Water; 1.5 H,< 5 °C2.4 Reagents: Copper Bromide (Cubr),Hydrogen Bromide Solvents: Water; < 5 °C; 2.5 H,60 °C
标题:Isothiazoloquinolones With Enhanced Antistaphylococcal Activities Against Multidrug-Resistant Strains: Effects Of Structural Modifications At The 6-,7-,And 8-Positions
作者:Wang,Qiuping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2007 卷标:50(2) 页码:199-210

2-氟苯酚置于palladium 10% On Activated Carbon,氢气,硝酸,Potassium Carbonate,Sodium Nitrite体系中,用甲醇,二氯甲烷,水,N,N-二甲基甲酰胺作为反应溶剂,-5.0~60.0 °C,379.22 Kpa 条件下,反应 11.0H,反应生成 2-溴-6-氟苯甲醚
参考文献: Inhibitors Of The Renal Outer Medullary Potassium Channel[fr] Inhibiteurs Du Canal Potassique Médullaire Externe Rénal
标题: Inhibitors Of The Renal Outer Medullary Potassium Channel[fr] Inhibiteurs Du Canal Potassique Médullaire Externe Rénal
摘要:本发明提供了式ia的化合物及其药用可接受的盐,这些化合物是romk(kir1.1)通道的抑制剂.这些化合物可用作利尿剂和/或钠利尿剂,并用于治疗和预防包括高血压,心力衰竭以及与过多盐分和水分潴留有关的医疗状况等心血管疾病.

海关参考信息

2905110000-甲醇
2908199090-其他酚的卤化衍生物
2908999090-其他酚的硝化衍生物
2918290000-其他含酚基羧酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-7884125-B2
优先权日:2008-04-30
标题:Straightforward entry to 7-azabicyclo[2.2.1]heptane-1-carbonitriles and subsequent synthesis of epibatidine analogues
发明人：STEVENS CHRISTIAN; HEUGEBAERT THOMAS
权利人:UNIV GENT
摘要:The present invention relates to a group of substituted-7-azabicyclo-[2.2.1]heptyl derivatives with biological activity. The present invention also relates to synthetic methods for producing said substituted-7-azabicyclo-[2.2.1]heptyl derivatives. The present invention also relates to certain intermediates for producing such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as a synthetic method for producing such intermediates. The present invention also relates to pharmaceutical compositions comprising such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as their use as medicaments for the treatment of diseases mediated by a Nicotinic Acetylcholine Receptor or a receptor being a member of the Neurotransmitter-gated Ion Channel Superfamily, such as pain, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy and nicotine addiction.

专利号:US-2009275616-A1
优先权日:2008-04-30
标题 :Straightforward entry to 7-azabicyclo[2.2.1]heptane-1-carbonitriles and subsequent synthesis of epibatidine analogues