CAS: 53981-24-1; 2-Amino-5-Fluorophenol

该化合物是一种氟芳烃化合物,由氨基和羟基功能组组成,使其成为有机合成的多功能中间体,其分子结构(C6H6FNO)能够应用药品,农用化学品和特殊化学品,特别是作为三环化合物的一个构件.氟替代会增强反应性和稳定性,而氨基和氢氧基组则可以通过二亚齐化,电相或凝聚等反应进一步功能化.该化合物因其纯度和在合成路径的一贯性而受到重视.由于可能对光和空气具有敏感性,需要妥善处理.建议在惰性条件下进行储存以保持稳定性.

英文名称2-Amino-5-Fluorophenol
中文名称2-氨基-5-氟苯酚
IUPAC名称2-amino-5-fluorophenol
其它别名2-Amino-5-Fluoro-Phenol; 2-Hydroxy 4-Fluoro Aniline; 4-Fluoro-2-Hydroxyaniline; 5-Fluoro 2-Amino Phenol
CAS编号53981-24-1
MFCD编号:MFCD00671759
EINECS号:640-241-4
分子式:C6H6FNO
分子量:127.12
产品CID: 2513348
产品分类有机原料 → 有机氟化合物 → 氟苯酚系列

相似结构搜索
产品信息参考;;;
InChIKey: IIDUNAVOCYMUFB-UHFFFAOYSA-N
InChI=1S/C6H6FNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数0.0

物理性质

熔点38 °C
沸点246.1±25.0 °C at 760 mmHg
闪点102.6±23.2 °C
密度1.3±0.1 g/cm3
pKa:8.76±0.10(预测)
PSA:46.25
LogP:1.05
折射率1.602
蒸汽压0.0±0.5 mmHg at 25°C
溶解性DMSO, Methanol
敏感性空气敏感
外观形态深米色固体
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物用于确定NMRMM2+的MG2+确定指标的中间体(2-MININO-5-含氟酚-N,N,O-三乙酸三甲基酯),实验进行了三种可行的反应,如碱性水解,催化氢化和酯化.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(吸入)
急性毒性类别4(经口)
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(经皮)
皮肤致敏类别1
致癌性类别1B
严重眼刺激类别2A
警示词Warning(警告)
危险描述H332 |吸入有害.
H302 |吞咽有害.
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.
H312 |皮肤接触有害.
H317 |可能引起皮肤过敏反应.
H350 |可能致癌.
防范说明P280h-P305+P351+P338-P312
危险等级IRRITANT
危险品标志Xi
安全声明26-36/37/39
危险类别码20/21/22-36/37/38

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

5-氟-2-硝基苯酚置于palladium 10% On Activated Carbon,氢气体系中,用乙醇作为反应溶剂,20.0~25.0 °C,199.95 Kpa 条件下,以91 %的收率获得产物2-氨基-5-氟苯酚
参考文献:Azd9977 生产中大规模硝基芳烃还原过程中氟化氢形成和释放的控制
标题:Azd9977 生产中大规模硝基芳烃还原过程中氟化氢形成和释放的控制
摘要:开发了一种硝基芳烃还原工艺,以在优化条件下以多千克规模运行,以通过催化加氢脱氟和意外氧化途径减少氟化氢的形成.过程理解和优化,包括加氢动力学的表征,以及一种无需用惰性气体吹扫容器即可中和工厂规模形成的任何氟化氢的创新方法.
DOI:10.1021/acs.Oprd.2C00323

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-2016194279-A1
优先权日:2012-12-09
标题 :One pot process for the conversion of aroyl chlorides to acyl thioureas
发明人：CHEPURI VENKATA RAMANA; BEERAN SENTHILKUMAR
权利人:COUNCIL SCIENT IND RES
摘要:The present invention disclose an improved one pot process for synthesis of acyl thioureas of formula (I), with yield greater than 80%, from aroyl chlorides of formula (I) wherein, Râ€² is an aryl or a heteroarylene group substituted with one or more groups selected from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino, carboxyl, ester, halogenated hydrocarbon or an aryl or heteroaryl; Râ€³ and Râ€²â€³ are selected independently from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino or halogenated hydrocarbon.

专利号:US-10995078-B2
优先权日:2013-03-13
标题:Compounds and compositions for inhibition of FASN
发明人：BAIR KENNETH W; LANCIA JR DAVID R; LI HONGBIN; LOCH JAMES; LU WEI; MARTIN MATTHEW W; MILLAN DAVID S; SCHILLER SHAWN E R; TEBBE MARK J
权利人:FORMA THERAPEUTICS INC
摘要:The present invention relates to compounds and composition for inhibition of FASN, their synthesis, applications, and antidotes. An illustrative compound of the invention is shown below:

专利号:US-2019152962-A1
优先权日:2016-07-14
标题 :Cyclopropyl derivatives as ror-gamma modulators
发明人：DESAI RANJIT; KUMAR SANJAY S; PANDYA VRAJESH; DESAI JIGAR; RAVAL SAURIN
权利人:CADILA HEALTHCARE LTD
摘要:The present invention provides compounds which are modulators of RORÎ³ and their use for the treatment of diseases or conditions mediated by RORÎ³. Further, the present invention relates to processes of preparing such compounds, their tautomeric forms, novel intermediates involved in their synthesis, their pharmaceutically acceptable salts, methods for using such compounds and pharmaceutical compositions containing them (Formula I).

专利号:WO-2018011747-A1
优先权日:2016-07-14
标题 :Polycyclic compounds as ror-gamma modulators
发明人：DESAI RANJIT; KUMAR SANJAY S; PANDYA VRAJESH; DESAI JIGAR; RAVAL SAURIN
权利人:CADILA HEALTHCARE LTD
摘要:The present invention provides compounds which are modulators of RORÎ³ and their use for the treatment of diseases or conditions mediated by RORÎ³. Further, the present invention relates to processes of preparing such compounds, their tautomeric forms, novel intermediates involved in their synthesis, their pharmaceutically acceptable salts, methods for using such compounds and pharmaceutical compositions containing them.

专利号:US-RE47415-E
优先权日:2009-02-17
标题:Pyrimidinecarboxamides as CXCR2 modulators
发明人：MAEDA DEAN Y; ZEBALA JOHN A
权利人:SYNTRIX BIOSYSTEMS INC
摘要:There is disclosed pyridine- and pyrimidinecarboxamide compounds useful as pharmaceutical agents, synthesis processes, and pharmaceutical compositions which include pyridine- and pyrimidinecarboxamides compounds. More specifically, there is disclosed a genus of CXCR2 inhibitor compounds that are useful for treating a variety of inflammatory and neoplastic disorders.

专利号:WO-2013153539-A1
优先权日:2012-04-13
标题:Tricyclic compounds as tec kinase inhibitors
发明人：CHAUDHARI SACHIN SUNDARLAL; KUMAR SUKEERTHI; THOMAS ABRAHAM; KHAIRATKAR-JOSHI NEELIMA; SHAH DAISY MANISH
权利人:GLENMARK PHARMACEUTICALS SA
摘要:The present invention is directed to tricyclic compounds of formula (I) as Tec kinase inhibitors, in particular ITK (interleukin-2 inducible tyrosine kinase) inhibitors. Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders mediated by ITK.