2-苯氨基嘧啶 | 57356-49-7
中文名称:
2-苯氨基嘧啶
英文名称:
N-Phenylpyrimidin-2-amine
CAS No.:
57356-49-7
分子式:
C1 0 H9 N3
分子量:
171.19856
名称和标识符
MDL
MFCD01646270
InChIKey
XGXNTJHZPBRBHJ-UHFFFAOYSA-N
Inchi
InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
SMILES
C1=CC=C(C=C1)NC2=NC=CC=N2
别名信息
- 中文别名 -
2-苯氨基嘧啶
2-(苯基氨基)嘧啶
2-苯胺基嘧啶
- 英文别名 -
N-Phenylpyrimidin-2-amine
2-(Phenylamino)pyrimidine
2-Phenylaminopyrimidine
N-Phenylpyrimidine-2-amine
2-Anilinopyrirmidine
2-Anilinopyrimidine
2-(N-Anilino)pyrimidine
2-(N-ANILINO)PYRIMIDINE 0.98
N-phenyl-2-Pyrimidinamine
{
"\"0\"": "N-Phenyl-2-pyrimidinamine"
}
AS-58598
FT-0651865
SCHEMBL911
DTXSID90469905
SY031633
XGXNTJHZPBRBHJ-UHFFFAOYSA-N
anilinopyrimidine
AC6387
J-506511
N-phenyl-2-pyrimidinamine
SB55587
1-benzyl-3-carboxypyridiniumchloride
A831405
AKOS006242256
Phenyliminopyrimidin
Z54888538
CHEMBL1650061
N-phenylpyrimidin-2-amine
2-(Phenylamino)pyrimidine
CS-0206768
MFCD01646270
EN300-102811
BDBM50350909
SCHEMBL21389617
N-phenylpyrimidin-2-amine
57356-49-7
AMY3646
N-Phenyl-2-pyrimidinamine
物化性质
实验特性
LogP
2.29320
PSA
37.81000
折射率
1.651
沸点
331.554℃/760mmHg
熔点
115-116 ºC
闪点
154.3°C
密度
1.206
计算特性
精确分子量
171.08000
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
2
同位素质量
171.079647300g/mol
重原子数量
13
复杂度
137
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)
2.1
拓扑分子极性表面积
37.8Ų
海关数据
海关编码
2933599090
海关数据
中国海关编码:
2933599090
概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations
Tahir Ali Chohan,Jiong-Jiong Chen,Hai-Yan Qian,You-Lu Pan,Jian-Zhong Chen Mol. BioSyst. 2016 12 1250
2.
Direct C–H alkylation and indole formation of anilines with diazo compounds under rhodium catalysis
Neeraj Kumar Mishra,Miji Choi,Hyeim Jo,Yongguk Oh,Satyasheel Sharma,Sang Hoon Han,Taejoo Jeong,Sangil Han,Seok-Yong Lee,In Su Kim Chem. Commun. 2015 51 17229
3.
Microwave-assisted simple synthesis of 2-anilinopyrimidines by the reaction of 2-chloro-4,6-dimethylpyrimidine with aniline derivatives
Cristina Campestre,Gy?rgy Keglevich,János Kóti,Luca Scotti,Carla Gasbarri,Guido Angelini RSC Adv. 2020 10 12249
4.
Ruthenium-catalyzed synthesis of indole derivatives from N-aryl-2-aminopyridines and alpha-carbonyl sulfoxonium ylides
Xin-Feng Cui,Zi-Hui Ban,Wa-Fa Tian,Fang-Peng Hu,Xiao-Qiang Zhou,Hao-Jie Ma,Zhen-Zhen Zhan,Guo-Sheng Huang Org. Biomol. Chem. 2019 17 240
5.
Ruthenium-catalyzed synthesis of indole derivatives from N-aryl-2-aminopyridines and alpha-carbonyl sulfoxonium ylides
Xin-Feng Cui,Zi-Hui Ban,Wa-Fa Tian,Fang-Peng Hu,Xiao-Qiang Zhou,Hao-Jie Ma,Zhen-Zhen Zhan,Guo-Sheng Huang Org. Biomol. Chem. 2019 17 240
6.
An Ir(iii)-catalyzed aryl C–H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones
Siyi Bai,Xun Chen,Xinwei Hu,Yuanfu Deng,Huanfeng Jiang,Wei Zeng Org. Biomol. Chem. 2017 15 3638
7.
Rhodium(iii)-catalyzed regioselective oxidative annulation of anilines and allylbenzenes via C(sp3)–H/C(sp2)–H bond cleavage
Yunqi Liu,Yudong Yang,Chunxia Wang,Zhishuo Wang,Jingsong You Chem. Commun. 2019 55 1068
8.
Switchable solvent-controlled divergent synthesis: an efficient and regioselective approach to pyrimidine and dibenzo[b,f][1,4]oxazepine derivatives
Jin-Peng Meng,Wan-Wan Wang,Ying-Lu Chen,Saurav Bera,Jun Wu Org. Chem. Front. 2020 7 267
9.
Iridium-catalyzed direct C–H amidation of anilines with sulfonyl azides: easy access to 1,2-diaminobenzenes
Lianhui Wang,Zi Yang,Mengqi Yang,Rongyi Zhang,Changsheng Kuai,Xiuling Cui Org. Biomol. Chem. 2017 15 8302
10.
Predictable site-selective functionalization: Promoter group assisted para-halogenation of N-substituted (hetero)aromatics under metal-free condition
Shiv Shankar Gupta,Manisha,Rakesh Kumar,Ankit Kumar Dhiman,Upendra Sharma Org. Biomol. Chem. 2021 19 9675
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