2-(2-Nitropropyl)-1,3-dioxolane

Base Information

• Chemical Name: 2-(2-Nitropropyl)-1,3-dioxolane
• CAS No.: 106334-27-4
• Molecular Formula: C6H11 N O4
• Molecular Weight: 161.16
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50557135
• Mol file: 106334-27-4.mol

Synonyms:2-(2-NITROPROPYL)-1,3-DIOXOLANE;106334-27-4;DTXSID50557135;YSVUXQBGRVBEGE-UHFFFAOYSA-N;AKOS006228284

Chemical Property of 2-(2-Nitropropyl)-1,3-dioxolane

Chemical Property:

• PSA: 64.28000
• LogP: 0.93780
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-(2-NITROPROPYL)-1,3-DIOXOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1OCCO1)[N+](=O)[O-]

Technology Process of 2-(2-Nitropropyl)-1,3-dioxolane

There total 2 articles about 2-(2-Nitropropyl)-1,3-dioxolane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

3-nitro-1-butanal (120532-76-5) + ethylene glycol (107-21-1) → 2-(2-nitropropyl)-1,3-dioxolane (106334-27-4)

Guidance literature:

With toluene-4-sulfonic acid; orthoformic acid triethyl ester; In pentane; for 25h; Heating;

DOI:10.1016/S0040-4039(00)82270-4

Reference yield: 47.0%

2-(2-bromopropyl)-1,3-dioxolane (106334-26-3) → 2-(2-nitropropyl)-1,3-dioxolane (106334-27-4)

Guidance literature:

With 3,5-dihydroxyphenol; sodium nitrite; In dimethyl sulfoxide; at 20 ℃; for 120h;

DOI:10.1016/S0040-4020(01)87381-6

Reference yield: 71.0%

2-(2-nitropropyl)-1,3-dioxolane (106334-27-4) + 2-Bromo-1-methyl-2-nitro-cyclohexanecarboxylic acid methyl ester (106334-34-3,106334-35-4) → 2-methyl-2-carbomethoxynitrocyclohexane (106334-36-5,106334-37-6) + C12H20N2O8 (106334-38-7,106334-39-8)

Guidance literature:

With lithium methanolate; In dimethyl sulfoxide; for 24h;

DOI:10.1016/S0040-4020(01)87381-6

upstream raw materials:

2-(2-bromopropyl)-1,3-dioxolane

3-nitro-1-butanal

ethylene glycol

Downstream raw materials:

2-methyl-2-carbomethoxynitrocyclohexane

C₁₂H₂₀N₂O₈

2-(2-Cyclohexylidene-propyl)-[1,3]dioxolane

2-[2-Nitro-2-(1-nitro-cyclohexyl)-propyl]-[1,3]dioxolane