Cas no 127368-10-9 (3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)-)

3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)- structure
127368-10-9 structure
Product Name:3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)-
CAS No:127368-10-9
MF:C10H14N4O9
MW:334.239562511444
CID:5687263
Update Time:2024-02-03

3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)- Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)-
    • Inchi: 1S/C10H14N4O9/c1-6(2)10(13(19)20)5-4-9(3,12(17)18)8(23-14(21)22)7(10)11(15)16/h4-8H,1-3H3/t7-,8-,9+,10-/m1/s1
    • InChI Key: DCLDVENYFBXEDF-DOLQZWNJSA-N
    • SMILES: [C@@H]1(O[N+]([O-])=O)[C@@H]([N+]([O-])=O)[C@@](C(C)C)([N+]([O-])=O)C=C[C@]1(C)[N+]([O-])=O

Experimental Properties

  • Density: 1.48±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 485.0±45.0 °C(Predicted)
  • pka: -6.13±0.70(Predicted)

3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Solvents: Acetic anhydride
Reference
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

3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)- Raw materials

3-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-2,5,6-trinitro-, nitrate (ester), (1α,2α,5β,6β)- Preparation Products

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