5-羟基嘧啶 (HCID 565855)

名称与标识

首选名称: Pyrimidin-5-ol
IUPAC: pyrimidin-5-ol
中文名: 5-羟基嘧啶
英文名: 5-Hydroxypyrimidine
分子式: C4H4N2O
分子量: 96.09

名称与别名

pyrimidin-5-ol26456-59-75-PyrimidinolDTXSID20902471RefChem:870916DTXCID001081910820-362-05-Hydroxypyrimidine284682-27-5MFCD064125625-Hydroxypyrimidine CH3COOH Saltpyrimidine, 5-hydroxy-

展开更多名称

嘧啶-5-酚5-羟基嘧啶嘧啶-5-醇5-羟基嘧啶 1KG5-羟基嘧啶 (醋酸盐)5-Hydroxypyrimidine ,98%5-Hydroxypyrimidine acetate5-HydroxypyriMidine. AcOH salt5-Pyrimidinol (6CI,7CI,8CI,9CI)Pyrimidin-5-ol, 5-Hydroxy-1,3-diazine5-Hydroxypyrimidine 97% (acetate salt)5-Hydroxypyrimidine ISO 9001：2015 REACH

(pyrimidin-5-yl)oxidanylSCHEMBL147677SCHEMBL150007SCHEMBL533401orb2893365SCHEMBL12471301TN8662AKOS006282730

数据库标识

CAS: 26456-59-7、51953-13-0
PubChem CID: 565855
DTXSID: DTXSID20902471
EC Number: 820-362-0
Nikkaji: J542.686C

性质

结构计算性质

XLogP: -0.4
极性表面积: 46 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 7
形式电荷: 0
复杂度: 51

物理化学性质

熔点: 212 · 212-214°C
沸点: 227.2 · 227.2±13.0 °C(Predicted)
密度: 1.293 · 1.293±0.06 g/cm3(Predicted)
储存条件: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
形态: Solid
酸度系数(pKa): 6.6 · 6.60±0.10(Predicted)
颜色: Light Beige to Beige
InChI: InChI=1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
InChIKey: LTXJLQINBYSQFU-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=N1

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全数据

海关编码: 29335990

化学与工业

制备方法 · 1 条

生产方法以5-甲氧基嘧啶为原料合成5-羟基嘧啶的一般步骤：将5-甲氧基嘧啶（2.99g，27.2mmol）与粉末状氢氧化钾（8.96g，85％，136mmol）在甲醇（50mL）中的混合物置于密封管中，于150℃下加热反应过夜。反应完成后，将混合物冷却至室温，加入乙酸进行中和，随后在减压条件下浓缩。所得残余物用热乙腈（2×100mL）研磨，合并乙腈萃取液并减压浓缩，得到7.51g灰白色固体。将该固体用热乙酸乙酯（100mL）研磨，减压浓缩乙酸乙酯萃取液，得到1.81g灰白色固体。最后，通过快速色谱法（硅胶为固定相，9:1的二氯甲烷/甲醇为流动相）进一步纯化，得到目标产物5-羟基嘧啶（1.11g，收率43%），为灰白色固体。其1H NMR（300MHz，DMSO-d6）数据如下：δ10.45（宽单峰，1H），8.67（单峰，1H），8.34（单峰，2H）。参考文献：[1] Chemistry - A European Journal, 2003, vol. 9, # 20, p. 4997 - 5010[2] Patent: US2006/173049, 2006, A1. Location in patent: Page/Page column 28-29[3] Patent: WO2008/65393, 2008, A1. Location in patent: Page/Page column 30[4] Chemistry and Industry (London, United Kingdom), 1956, p. 1453[5] Patent: US2002/143025, 2002, A1

上下游产品信息

上游原料

氢氧化钾钠三溴化硼乙酸乙酯二氯甲烷乙二醇醋酸甲醇 5-溴嘧啶无水硫酸镁 5-嘧啶硼酸 5-甲氧基嘧啶

下游产品

恶唑

试剂价格

XW022645659704 · 10G: 5-羟基嘧啶 — 1521元
XW022645659703 · 5G: 5-羟基嘧啶 — 798元

供应商50 家

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

关联笔记

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5-羟基嘧啶

基本信息