Cas no 127368-12-1 (4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3α,6β)-)

4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3α,6β)- structure
127368-12-1 structure
Product Name:4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3α,6β)-
CAS No:127368-12-1
MF:C10H15N3O8
MW:305.241402864456
CID:5687262
Update Time:2024-02-03

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

Names and Identifiers

    • 4-Cyclohexene-1,3-diol, 2-methyl-5-(1-methylethyl)-2,6-dinitro-, 1-nitrate, (1α,2α,3α,6β)-
    • 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-/m0/s1
    • InChI Key: BHAXUUXAOCPSOA-QEYWKRMJSA-N
    • 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

Experimental Properties

  • Density: 1.44±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 468.5±45.0 °C(Predicted)
  • pka: -0.18±0.70(Predicted)

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

Production Method 1

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

Production Method 2

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

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

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

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd