4728-14-7

Basic information

• Product Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol
• Synonyms: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol;2,2-Dimethyl-5-hydroxymethyl-5-nitro-1,3-dioxane
• CAS NO: 4728-14-7
• Molecular Formula: C₇H₁₃NO₅
• Molecular Weight: 191.18182
• Mol File: 4728-14-7.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 303.1°C at 760 mmHg
• Flash Point: 137.1°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 9.12E-05mmHg at 25°C
• Refractive Index: 1.494
• CAS DataBase Reference: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol(CAS DataBase Reference)
• NIST Chemistry Reference: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol(4728-14-7)
• EPA Substance Registry System: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol(4728-14-7)

Safety Data

• Hazardous Substances Data: 4728-14-7(Hazardous Substances Data)

Usage

General Description

(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is a chemical compound with a molecular formula of C7H13NO5. It is a nitro compound that contains a dioxane ring and a hydroxyl group, making it a stable and versatile molecule for various chemical applications. (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also a building block for the production of nitroalkanes, which are commonly used as solvents and fuel additives. Additionally, this chemical has shown potential as a reagent for the selective reduction of carbonyl compounds. Overall, (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methanol is a valuable chemical with diverse uses in the pharmaceutical, agricultural, and chemical industries.

InChI:InChI=1/C7H13NO5/c1-6(2)12-4-7(3-9,5-13-6)8(10)11/h9H,3-5H2,1-2H3

Upstream product

• 67-64-1 acetone 
• 126-11-4 2-hydroxymethyl-2-nitro-propane-1,3-diol 
• 109-63-7 trifluoroborane diethyl ether 
• 77-76-9 2,2-dimethoxy-propane 

Downstream Products

• 25304-85-2 5-benzoyloximethyl-2,2-dimethyl-5-nitro-[1,3]dioxane 
• 53104-32-8 (5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol 
• 104440-15-5 2,2-dimethyl-5-nitro-5-phenylazo-[1,3]dioxane 
• 106377-87-1 2,2-dimethyl-5-nitro-5-p-tolylazo-[1,3]dioxane 
• 104622-21-1 5-(4-chloro-phenylazo)-2,2-dimethyl-5-nitro-[1,3]dioxane 
• 104912-19-8 2,2-dimethyl-5-nitro-5-(4-nitro-phenylazo)-[1,3]dioxane 
• 107821-92-1 2,2-dimethyl-5-nitro-5-[4-(4-nitro-phenylsulfanyl)-phenylazo]-[1,3]dioxane 
• 104143-48-8 2,2-dimethyl 5-nitro 5-p-nitrobenzyl 1,3-dioxane 
• 97584-17-3 2,2-dimethyl-5-tosyloxymethyl-5-nitro-1,3-dioxane 
• 139157-69-0 1-methyl 2-(2,2-dimethyl 1,3-dioxane 5-ylidenemethyl) 5-nitroimidazole 
• 138435-94-6 5-<<(tert-Butyldiphenylsilyl)oxy>methyl>-2,2-dimethyl-5-nitro-1,3-dioxane 
• 4064-87-3 2,2-dimethyl-5-nitro-1,3-dioxane 
• 50-00-0 formaldehyd 
• 678992-55-7 2,2-dimethyl-5-nitro-5-(nitrobenzyl)-[1,3]-dioxane 

Relevant articles and documents

Development of new methods for the synthesis of 2,3-bis(nitroxymethyl)-2,3-dinitrobutane-1,4-diol dinitrate and its intermediates

Known methods for the synthesis of 2,3-bis(nitroxymethyl)-2,3-dinitrobutane-1,4-diol dinitrate and its intermediates were investigated. New procedures were developed for the preparation of these compounds. 2,3-Bis(nitroxymethyl)-2,3-dinitrobutane-1,4-diol dinitrate was studied by X-ray diffraction.

Polynitrocarbamates Derived from Nitromethane

A variety of energetic compounds combining nitro with nitrocarbamate groups were synthesized. The precursors, polynitro alcohols, were obtained by the condensation of the readily available starting material nitromethane with the small aliphatic aldehydes formaldehyde and glyoxal. The conversion into carbamates was achieved with the reactive chlorosulfonyl isocyanate (CSI) and a final nitration yielded the polynitrocarbamates. The new compounds were fully characterized, including multinuclear NMR spectroscopy, vibrational analysis, mass spectrometry, differential scanning calorimetry, and elemental analysis. The energies of formation were calculated with the GAUSSIAN program package and the detonation parameters were predicted using the EXPLO5 computer code. Due to the positive oxygen balance (ΩCO) of the presented compounds, their performance data as oxidizers were determined and compared to the common oxidizer ammonium perchlorate.

Synthesis and crystal structure of 5,5'-dinitro-[5,5'-bi-(1,3,2- dioxathiane)]2,2'-dioxide

A novel 1,3,2-dioxathiane-2-oxide derivative 5,5'-dinitro-[5,5'-bis(1,3,2- dioxathiane)]2,2'-dioxide was synthesised. Moreover, the molecular structure of the compound was confirmed by the X-ray crystal structure determination.