CAS: 98130-56-4; 2-Bromo-4,6-Difluorophenol

该化合物是一种有机化合物,其特点是芳香结构,包括苯丙酰羟基(-OH)和两个附于苯环的氟原子,以及一个溴替代物,该化合物一般在室温时是一种固体,由于具有独特的反应性和功能组,在制药和农用化学中具有潜在用途,因此众所周知.溴和氟原子的存在会加强其电子病性,使其在各种化学反应中有用,包括核糖类替代物.此外,氟素原子会影响化合物的脂性与生物活动.2-Bromo-4-6-二氟苯酚对于材料科学也感兴趣,因为它有可能用于开发具有特定电子或光学特性的新材料.在处理该化合物时,应注意安全防范措施,因为卤化苯酚可能十分危险.总的来说,其独特的结构和特性使其在研究和工业应用中成为有价值的化合物.

英文名称2-Bromo-4,6-Difluorophenol
中文名称2-溴-4,6-二氟苯酚
IUPAC名称2-bromo-4,6-difluorophenol
其它别名2-Bromanyl-4,6-Bis(Fluoranyl)Phenol; Phenol, 2-Bromo-4,6-Difluoro-; Ydrzyjatkmbsjx-Uhf
CAS编号98130-56-4
MFCD编号:MFCD00070752
EINECS号:619-323-9
分子式:C6H3BrF2O
分子量:208.99
产品CID: 2024640
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: YDRZYJATKMBSJX-UHFFFAOYSA-N
InChI=1S/C6H3BrF2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

沸点177.5 °C at 760 mmHg
闪点61.1±25.9 °C
密度1.9±0.1 g/cm3
pKa:7.20±0.23(预测)
PSA:20.23
LogP:2.4329
折射率1.550
蒸汽压0.8±0.3 mmHg at 25°C
敏感性常温常压下稳定，避免与强氧化剂接触。
外观形态无色至淡黄色透明液体
储存条件密封, 常温干燥保存
产品应用该化合物用于化学反应的试剂或有机合成的原料,是其他有机循环化合物或药物活性成分的制备中的关键中间体.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
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
严重眼刺激类别2
急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501
危险等级IRRITANT
危险品标志Xi
风险等级Harmful
安全声明26-36/37/39
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 2-Bromo-4,6-Difluorophenol 主要起始原料 2,4-Difluoroaniline
(文献来源)合成步骤主要原料 2,4-Difluoroaniline

6,8-Difluoro-2H-Chromene-3-Carbonitrile置于sodium Hypochlorite,硫酸,水,氢气,溴,Potassium Hydroxide,Sodium Hydroxide体系中,用甲醇,水,溶剂黄146 作为反应溶剂,100.0 °C,3.0 Mpa 条件下,反应 71.0H,反应生成 2-溴-4,6-二氟苯酚
参考文献:Process Research For Multikilogram Production Of Etamicastat: A Novel Dopamine β-Hydroxylase Inhibitor
标题:Process Research For Multikilogram Production Of Etamicastat: A Novel Dopamine β-Hydroxylase Inhibitor
摘要:In Order To Develop A Manufacturing Route To Etamicastat,Three Synthetic Approaches To The Pivotal Chiral 3-Aminochroman Intermediate Have Been Studied As Well As Four Methods For The Construction Of The 2-Aminoethyl Imidazolethione Fragment. The Evolution Of The Synthetic Strategy Based On The Early Discovery Route Was Described. By Focusing On The Use Of Readily Available Starting Materials It Was Possible To Avoid Chromatography Steps And Expensive Reagents,Bringing About Significant Improvements In Cost And Throughput. The Best Route Involves Construction Of The Chiral Centre By Asymmetric Hydrogenation.
DOI:10.1021/op300012D

海关参考信息

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
2905199090-其他饱和一元醇
💡 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-8487108-B2
优先权日:2005-11-14
标题 :Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors
发明人：BALDWIN JOHN J; CLAREMON DAVID A; TICE COLIN; CACATIAN SALVACION; DILLARD LAWRENCE W; ISHCHENKO ALEXEY V; YUAN JING; XU ZHENRONG; MCGEEHAN GERARD; SIMPSON ROBERT D; SINGH SURESH B; ZHAO WEI; FLAHERTY PATRICK T
权利人:BALDWIN JOHN J; CLAREMON DAVID A; TICE COLIN; CACATIAN SALVACION; DILLARD LAWRENCE W; ISHCHENKO ALEXEY V; YUAN JING; XU ZHENRONG; MCGEEHAN GERARD; SIMPSON ROBERT D; SINGH SURESH B; ZHAO WEI; FLAHERTY PATRICK T; VITAE PHARMACEUTICALS INC
摘要:The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.