1,3-Dimorpholino-2-nitropropane

Base Information

• Chemical Name: 1,3-Dimorpholino-2-nitropropane
• CAS No.: 81104-52-1
• Molecular Formula: C11H21 N3 O4
• Molecular Weight: 259.3
• European Community (EC) Number: 685-043-9
• DSSTox Substance ID: DTXSID60350790
• Wikidata: Q82126894
• Mol file: 81104-52-1.mol

Synonyms:81104-52-1;1,3-DIMORPHOLINO-2-NITROPROPANE;Morpholine,4,4'-(2-nitro-1,3-propanediyl)bis-;SCHEMBL372383;DTXSID60350790;HSZDKPZQCXWNRJ-UHFFFAOYSA-N;1,3- dimorpholino-2-nitropropane;AKOS024307474;4,4'-(2-nitropropane-1,3-diyl)dimorpholine

Chemical Property of 1,3-Dimorpholino-2-nitropropane

Chemical Property:

• Melting Point: 118-125 °C(lit.)
• PSA: 70.76000
• LogP: -0.30490
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 259.15320616
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC(CN2CCOCC2)[N+](=O)[O-]

Technology Process of 1,3-Dimorpholino-2-nitropropane

There total 2 articles about 1,3-Dimorpholino-2-nitropropane 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:

morpholine (110-91-8,99108-56-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + nitromethane (75-52-5) → 4,4'-(2-nitropropane-1,3-diyl)dimorpholine (81104-52-1)

Guidance literature:

DOI:10.1021/jo01189a001

Reference yield:

N-hydroxymethylmorpholine (4432-43-3) + nitromethane (75-52-5) → 4,4'-(2-nitropropane-1,3-diyl)dimorpholine (81104-52-1)

Guidance literature:

DOI:10.1021/jo01189a001

Reference yield: 54.0%

4-nitro-1,2-diethyl-pyrazolidine (81104-50-9) + aluminum nickel + 4,4'-(2-nitropropane-1,3-diyl)dimorpholine (81104-52-1) + 1,2-diethylhydrazine dihydrochloride (7699-31-2,117882-47-0) → 4-Amino-1,2-diethyl-pyrazolidine (70180-92-6)

Guidance literature:

With hydrogen; In methanol; ethanol; toluene;

upstream raw materials:

morpholine

formaldehyd

nitromethane

N-hydroxymethylmorpholine

Downstream raw materials:

4-Amino-1,2-diethyl-pyrazolidine