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27590-04-1 ((Imidodiphosphoric acid)

结构式：

Imidodiphosphoric acid结构式图片|27590-04-1结构式图片

Imidodiphosphoric acidMOL文件

CAS号：

27590-04-1

英文名称：

Imidodiphosphoric acid

分子式：

H₅NO₆P₂

分子量：

176.990321874619

Imidodiphosphoric acid(27590-04-1)名称与标识符

名称

英文别名：

Imidodiphosphoric acid;(phosphonoamino)phosphonic acid;2PN;aminodiphosphonic acid;imidobisphosphate;imido-diP;imidodiphosphate;Imidodiphosphonate;Imidodiphosphonic acid;Imidodiphosphorsaeure;N,N-imidobisphosphonate;DTXSID00181989;CHEMBL265450;27590-04-1;Q27453169;FT-0695048;iminodiphosphonic acid;BDBM50478336;EINECS 247-423-9;

标识符

InChIKey：

GNGSOPFGGKKDQP-UHFFFAOYSA-N

Inchi：

1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)

SMILES：

P(NP(=O)(O)O)(=O)(O)O

Imidodiphosphoric acid(27590-04-1)物化性质

实验特性

LogP : -0.84770
PSA : 146.71000
沸点 : °Cat760mmHg
闪点 : °C
密度 : 2.338

计算特性

精确分子量 : 176.95900
氢键供体数量 : 5
氢键受体数量 : 7
可旋转化学键数量 : 2
同位素质量 : 176.959
重原子数量 : 9
复杂度 : 152
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） : -3.5
拓扑分子极性表面积 : 127Å²

Imidodiphosphoric acid(27590-04-1)上下游

Diphosphate 磷酸

Imidodiphosphoric acid(27590-04-1)相关文献

1. H8-BINOL chiral imidodiphosphoric acid catalyzed highly enantioselective aza-Friedel–Crafts reactions of pyrroles and enamides/imines
Kun Wu,Ming-Hua Zhuo,Di Sha,Yan-Sen Fan,Dong An,Yi-Jun Jiang,Suoqin Zhang Chem. Commun. 2015 51 8054
2. Imidodiphosphoric acid as a bifunctional catalyst for the controlled ring-opening polymerization of δ-valerolactone and ε-caprolactone
Suli Kan,Yu Jin,Xiaojiang He,Jia Chen,Hao Wu,Pingkai Ouyang,Kai Guo,Zhenjiang Li Polym. Chem. 2013 4 5432
3. Efficient access to chiral benzo[c]chromenes via asymmetric transfer hydrogenation of ketals
Yangshan Li,Miao Wan,Shutao Sun,Zhongjun Fu,Haofei Huang,Lei Liu Org. Chem. Front. 2018 5 1280
4. QM/MM study on the enantioselectivity of spiroacetalization catalysed by an imidodiphosphoric acid catalyst: how confinement works
Luis Simón,Robert S. Paton Org. Biomol. Chem. 2016 14 3031
5. Enantioselectivity in CPA-catalyzed Friedel–Crafts reaction of indole and N-tosylimines: a challenge for guiding models
Luis Simón Org. Biomol. Chem. 2018 16 2225
6. Organocatalyzed nucleophilic addition of pyrazoles to 2H-azirines: asymmetric synthesis of 3,3-disubstituted aziridines and kinetic resolution of racemic 2H-azirines
Dong An,Xukai Guan,Rui Guan,Lajiao Jin,Guangliang Zhang,Suoqin Zhang Chem. Commun. 2016 52 11211
7. Asymmetric syntheses of spiro[benzofuro-cyclopenta[1,2-b]indole–indoline] scaffolds via consecutive cyclization
Heng Zhang,Xu-Kai Guan,Dong-Yang Sun,Guo-Feng Liu,Ji-Gang Gao,Guang-Liang Zhang,Suo-Qin Zhang Chem. Commun. 2021 57 2313
8. Advances in organocatalytic asymmetric reactions of vinylindoles: powerful access to enantioenriched indole derivatives
Man-Su Tu,Ke-Wei Chen,Ping Wu,Yu-Chen Zhang,Xiao-Qin Liu,Feng Shi Org. Chem. Front. 2021 8 2643
9. Development and application of chiral spirocyclic phosphoric acids in asymmetric catalysis
Abdul Rahman,Xufeng Lin Org. Biomol. Chem. 2018 16 4753
10. Chiral phosphoramide-catalyzed enantioselective synthesis of 2,3′-diindolylarylmethanes from indol-2-yl carbinols and indoles
Shuai Qi,Chao-You Liu,Jin-Ying Ding,Fu-She Han Chem. Commun. 2014 50 8605

目录

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