1,1-Diethoxy-2-nitroethane

Base Information

• Chemical Name: 1,1-Diethoxy-2-nitroethane
• CAS No.: 34560-16-2
• Molecular Formula: C6H13NO4
• Molecular Weight: 163.174
• Hs Code.: 2911000000
• European Community (EC) Number: 841-658-6
• DSSTox Substance ID: DTXSID30406738
• Wikidata: Q72494217
• Mol file: 34560-16-2.mol

Synonyms:1,1-diethoxy-2-nitroethane;34560-16-2;Nitroacetaldehyde diethyl acetal;SCHEMBL14726613;DTXSID30406738;1-(1-ethoxy-2-nitroethoxy)ethane;MFCD00066245;AKOS005266447;CS-0309315;W11149;EN300-1738113

Chemical Property of 1,1-Diethoxy-2-nitroethane

Chemical Property:

• Vapor Pressure: 0.236mmHg at 25°C
• Refractive Index: 1.4243
• Boiling Point: 206.5 °C at 760 mmHg
• Flash Point: 80.3 °C
• PSA: 64.28000
• Density: 1.063g/cm³
• LogP: 1.18540
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 163.08445790
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

1,1-Diethoxy-2-nitroethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C[N+](=O)[O-])OCC
• Uses: 1,1-Diethoxy-2-nitroethane can be used to prepare DNA methyltransferase inhibitors.

Technology Process of 1,1-Diethoxy-2-nitroethane

There total 6 articles about 1,1-Diethoxy-2-nitroethane 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: 49.0%

nitromethane (75-52-5) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxy-2-nitroethane (34560-16-2)

Guidance literature:

With zinc(II) chloride; Heating;

DOI:10.1055/s-1981-29627

Reference yield:

1,1-diethoxy-2-iodoethane (51806-20-3) → 1,1-diethoxy-2-nitroethane (34560-16-2)

Guidance literature:

With silver(I) nitrite;

Reference yield:

diethyl acetal (105-57-7,30846-29-8) → 1,1-diethoxy-2-nitroethane (34560-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: iodic acid; iodine / 10 - 15 °C

2: silver nitrite

With silver(I) nitrite; iodine; iodic acid;

upstream raw materials:

1,1-diethoxy-2-iodoethane

nitromethane

orthoformic acid triethyl ester

diethyl acetal

Downstream raw materials:

2,2-diethoxy-ethanamine

(2R,3S)-2-Benzyloxy-5,5-diethoxy-4-nitro-pentane-1,3-diol

(2S,3R)-2-Benzyloxy-5,5-diethoxy-4-nitro-pentane-1,3-diol

(Z)-1-dimethylamino-2-nitroethene