2-乙醇吡啶 | 103-74-2
中文名称:
2-乙醇吡啶
英文名称:
2-Pyridineethanol
CAS No.:
103-74-2
分子式:
C7 H9 NO
分子量:
123.15246
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-乙醇吡啶结构式
名称和标识符
MDL
MFCD00006364
InChIKey
BXGYBSJAZFGIPX-UHFFFAOYSA-N
Inchi
1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
SMILES
OCCC1=NC=CC=C1
BRN
111205
物化性质
实验特性
LogP
0.61640
PSA
33.12000
折射率
n20/D 1.537(lit.)
水溶性
溶解
沸点
139°C/40mmHg(lit.)
熔点
-8--7°C
蒸气压
0.0±0.5 mmHg at 25°C
闪点
华氏:235.4 °F 摄氏:113 °C
溶解度
Soluble in Chloroform (Slightly), Methanol (Slightly).
颜色与性状
无色液体。
PH值
8-9 (100g/l, H2O, 20℃)
溶解性
未确定
敏感性
Hygroscopic
密度
1.093 g/mL at 25 °C(lit.)
计算特性
精确分子量
123.06800
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
123.068414
重原子数量
9
复杂度
75.3
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
33.1
海关数据
海关编码
29333999
海关数据
中国海关编码:
2933399090
概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
生产方法和用途
方法
HPLC,GC,NMR
由2-甲基吡啶与甲醛经加成反应而得。将甲醛,2-甲基吡啶加入反应锅内,通入氮气,搅拌加热至125℃,压力为0.4MPa左右,反应20h后,进行减压蒸馏,收集130-145℃(2.13kPa)馏分,得2-(2-羟乙基)吡啶。
用途
用于有机合成。
生产方法
由2-甲基吡啶与甲醛经加成反应而得。将甲醛,2-甲基吡啶加入反应锅内,通入氮气,搅拌加热至125℃,压力为0.4MPa左右,反应20h后,进行减压蒸馏,收集130-145℃(2.13kPa)馏分,得2-(2-羟乙基)吡啶。
相关文献
1.
Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies
Magdalena Malik,Anna ?witlicka,Alina Bieńko,Urszula K. Komarnicka,Dariusz C. Bieńko,Sandra Kozie?,Agnieszka Kyzio?,Tomasz Mazur,Barbara Machura RSC Adv. 2022 12 27648
2.
2-(Pyridin-2-yl)ethanol as a protecting group for carboxylic acids: chemical and thermal cleavage, and conversion of poly[2-(pyridin-2-yl)ethyl methacrylate] to poly(methacrylic acid)
Marios Elladiou,Costas S. Patrickios Polym. Chem. 2012 3 3228
3.
Highly efficient asymmetric bioreduction of 1-aryl-2-(azaaryl)ethanones. Chemoenzymatic synthesis of lanicemine
Ramón Liz,Elisa Liardo,Francisca Rebolledo Org. Biomol. Chem. 2019 17 8214
4.
Synthesis of cubane-type Ni(ii) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour
Sophie Hameury,Laure Kayser,Roberto Pattacini,Guillaume Rogez,Wolfgang Wernsdorfer,Pierre Braunstein Dalton Trans. 2013 42 5013
5.
Enhancement in catalytic proton reduction by an internal base in a diiron pentacarbonyl complex: its synthesis, characterisation, inter-conversion and electrochemical investigation
Zhimei Li,Zhiyin Xiao,Fenfen Xu,Xianghua Zeng,Xiaoming Liu Dalton Trans. 2017 46 1864
6.
Preparation of the Ru3(CO)8-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines
Ajeet Singh,Shaikh M. Mobin,Pradeep Mathur Dalton Trans. 2018 47 14033
7.
Preparation of the Ru3(CO)8-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines
Ajeet Singh,Shaikh M. Mobin,Pradeep Mathur Dalton Trans. 2018 47 14033
8.
The mechanism of thermal eliminations. Part 16. Rate data for pyrolysis of 2-(2-hydroxyethyl)pyridine; prediction of elimination rates
Roger Taylor J. Chem. Soc. Perkin Trans. 2 1983 809
9.
The mechanism of thermal eliminations. Part 16. Rate data for pyrolysis of 2-(2-hydroxyethyl)pyridine; prediction of elimination rates
Roger Taylor J. Chem. Soc. Perkin Trans. 2 1983 809
10.
Reversible single-crystal to single-crystal transformations in a Hg(ii) derivative. 1D-polymeric chain ? 2D-networking as a function of temperature
Shaikh M. Mobin,Ashwini K. Srivastava,Pradeep Mathur,Goutam Kumar Lahiri Dalton Trans. 2010 39 8698
参考资料
Reaxys RN
111205
Beilstein
21,50
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