127420-20-6 ((4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-)

快速询单

结构式：

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-MOL文件

CAS号：

127420-20-6

英文名称：

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-

分子式：

C₁₀H₁₅N₃O₈

分子量：

305.241402864456

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)名称与标识符

名称

英文别名：

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-;

标识符

InChIKey：

BHAXUUXAOCPSOA-RGOKHQFPSA-N

Inchi：

1S/C10H15N3O8/c1-5(2)6-4-7(14)10(3,12(17)18)9(21-13(19)20)8(6)11(15)16/h4-5,7-9,14H,1-3H3/t7-,8+,9-,10+/m1/s1

SMILES：

[C@@H]1(O[N+]([O-])=O)[C@@H]([N+]([O-])=O)C(C(C)C)=C[C@@H](O)[C@]1(C)[N+]([O-])=O

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)物化性质

实验特性

沸点 : 468.5±45.0 °C(Predicted)
酸度系数(pKa) : -0.18±0.70(Predicted)
密度 : 1.44±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Nitrogen dioxide Solvents: Acetic anhydride

参考文献：

Reactions of 4-methyl-1-(1'-methylethyl)-4-nitrocyclohexa-2,5-dien-1-yl acetates with nitrogen dioxide; towards a mechanism for the formation of polynitro cyclohexenyl esters on reaction of p-cymene with nitrogen dioxide in acetic anhydride

Abell, Andrew D.; Hartshorn, Michael P.; Robinson, Ward T.; Waller, A. Grant; Wright, Graeme J., Australian Journal of Chemistry, 1989, 42(12), 2225-42

合成路线：1 步

反应条件：

1.1 Reagents: Nitrogen dioxide Solvents: Acetic anhydride

参考文献：

The nitration of p-cymene with nitrogen dioxide in acetic anhydride

Hartshorn, Michael P.; Robinson, Ward T.; Waller, A. Grant; Wright, Graeme J., Australian Journal of Chemistry, 1989, 42(12), 2143-60

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127420-20-6 ((4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-)

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)名称与标识符

名称

标识符

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)物化性质

实验特性

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3β,6β)-(127420-20-6)合成路线

目录