CAS: 89641-18-9; 2,4-Dimethoxypyrimidine-5-Boronic Acid

该化合物是一种激素酸衍生物,其特点是2和4位置上存在一种以两种甲基氧组替代的火水酸环,以及一种碳酸功能组.一般而言,这种化合物具有与boronic酸相关的特性,例如与二醇形成可逆共价结合的能力,使其在各种应用中有用,包括有机合成和药用化学. 湿米丁细胞的存在可能带来具体的生物活动,可能使其与......

英文名称2,4-Dimethoxypyrimidine-5-Boronic Acid
中文名称2,4-二甲氧基嘧啶-5-硼酸
IUPAC名称(2,4-dimethoxypyrimidin-5-yl)boronic acid
其它别名5-Pyrimidineboronicacid, 2,4-dimethoxy- (7CI); Boronic acid, (2,4-dimethoxy-5-pyrimidinyl)- (9CI); (2,4-Dimethoxypyrimidin-5-yl)boronic acid; (2,6-Dimethoxypyrimidin-5-yl)boronicacid; 2,4-Dimethoxy-5-pyrimidinylboronic acid
CAS编号89641-18-9
MFCD编号:MFCD01318985
EINECS号:672-292-3
分子式:C6H9BN2O4
分子量:183.96
产品CID: 1918184
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: LKGKUACPLXCVOF-UHFFFAOYSA-N
InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3…
计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数3.0

相似化合物

936250-17-8 109299-79-8 909187-37-7

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
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H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT, KEEP COLD
UN编号NONH for all modes of transport
危险品标志Xi
风险等级Irritant
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
WGK Germany3

欧盟法规

C&L通报

上下游产品

5-bromo-2,4-dimethoxypyrimidine hydrogenchloride (5-{3-[4-(2,4-dimethoxy-pyrimidin-5-yl)-phenoxy]-propoxy}-indan-1-yl)-acetic acid ethyl ester 2,4-dimethoxy-5-phenylpyrimidine 2-[3-(1-tert-butoxycarbonylpiperidin-4-ylcarbonylamino)phenyl]-6-chloro-4-(2,4-dimethoxypyrimidin-5-yl)pyrimidine N-(2(R)-Methyl-2-tetrahydrofuroyl)-(L)-4-(2,4-dimethoxy-5-pyrimidinyl)-phenylalanine

合成工艺路线路线简述

56686-16-9 = 89641-18-9
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 193 - 203 K; 5 Min,193 - 203 K1.2 Reagents: Triethylborane; 203 K -> 173 K; 173 K; 30 Min,173 K; 2 H,173 K -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt; Ph 3.0 - 3.5,Rt
标题:Process For Preparation Of 5-(Dihydroxyboryl)-2,4-Bis(Alkoxy)Pyrimidines By Boration Of 2,4-Bis(Alkoxy)Pyrimidine Carbanions With Triethyl- Or Trimethylborane
参考文献:Poland]

56686-16-9 = 89641-18-9
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 1 H,-78 °C1.2 Reagents: Trimethyl Borate; -78 °C -> Rt; 16 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt; 16 H,Rt1.4 Reagents: Sodium Carbonate Solvents: Water; Neutralized
标题:Blue-Emitting Cationic Iridium(Iii) Complexes Featuring Pyridylpyrimidine Ligands And Their Use In Sky-Blue Electroluminescent Devices
作者:Henwood,Adam F.; Pal,Amlan K.; Cordes,David B.; Slawin,Alexandra M. Z.; Rees,Thomas W.; Et Al
参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2017 卷标:5(37) 页码:9638-9650]

52522-99-3 = 89641-18-9
反应条件:1.1 Reagents: Triethylamine,Cuprous Iodide,(3As,4Ar,5R,7As,9R,9Ar)-Octahydro-5,8,8,9A-Tetramethyl-4H-4A,9-Methanoazuleno[5,... Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1,4-Dioxane1.2 Solvents: Water1.3 Solvents: Cyclohexane1.4 Reagents: Diethanolamine1.5 Reagents: Hydrogen Ion Solvents: Water
标题:Cedranediolborane As A Borylating Agent For The Preparation Of Boronic Acids: Synthesis Of A Boronated Nucleoside Analog
作者:Song,Yi-Lin; Morin,Christophe
参考文献:Synlett 日期:2001 卷标:(2) 页码:266-268]

1111732-97-8 = 89641-18-9
反应条件:1.1 Catalysts: Iron Chloride (Fecl3) Solvents: Tetrahydrofuran,Water; 60 Min,Rt
标题:Iron Trichloride Promoted Hydrolysis Of Potassium Organotrifluoroborates
作者:Blevins,David W.; Yao,Min-Liang; Yong,Li; Kabalka,George W.
参考文献:Tetrahedron Letters 日期:2011 卷标:52(49) 页码:6534-6536]

1111732-97-8 = 89641-18-9
反应条件:1.1 Reagents: Silica,Water Solvents: Water; 24 H,Rt
标题:Efficient Hydrolysis Of Organotrifluoroborates Via Silica Gel And Water
作者:Molander,Gary A.; Cavalcanti,Livia N.; Canturk,Belgin; Pan,Po-Shen; Kennedy,Lauren E.
参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(19) 页码:7364-7369

5-溴-2,4-二甲氧基嘧啶置于正丁基锂体系中,用四氢呋喃,正己烷作为反应溶剂,化学反应 33.0H,反应生成 2,4-二甲氧基嘧啶-5-硼酸
参考文献:具有吡啶基嘧啶环金属配体的发蓝光阳离子铱(iii)配合物及其在天蓝色和蓝绿色发光电化学电池(leec)和有机发光二极管(oled)中的用途
标题:具有吡啶基嘧啶环金属配体的发蓝光阳离子铱(iii)配合物及其在天蓝色和蓝绿色发光电化学电池(leec)和有机发光二极管(oled)中的用途
摘要:报道了四种新颖的阳离子铱(iii)配合物的合成,结构和光物理特性.这些络合物被设计为在可见光谱的蓝色区域发射,而无需使用sp2碳-氟键,该键已被证明是电化学不稳定的.两种不同的c ^ N(其中c ^ N是具有氮-碳螯合物的双齿环金属配体)配体[5-(4-甲基吡啶-2-基)-2,4-二甲氧基嘧啶(mepypyrm)和5-(5-(三氟甲基)吡啶-2-基)-2,4-二甲氧基嘧啶(cf3Pypyrm)]将吸电子的嘧啶氮原子(相对于金属呈对位关系)与甲氧基相对于金属成间位关系.两者都感应地从金属中心抽出电子密度,从而稳定了最高占据分子的轨道.结果是在mecn溶液中,配合物1-4的发射效率很高(pl= 73-81%),绿色到蓝色(pl= 446-515 Nm)的发射.配合物1表现出宽泛的非结构化电荷转移(ct)发射曲线,而配合物2-4显示出结构化的电子振动发射曲线.密度泛函理论(dft)
DOI:10.1039/c7Tc03110F