4-(3-Nitrophenyl)morpholine

Base Information

• Chemical Name: 4-(3-Nitrophenyl)morpholine
• CAS No.: 116922-22-6
• Molecular Formula: C10H12N2O3
• Molecular Weight: 208.217
• Hs Code.: 29349990
• European Community (EC) Number: 664-126-3
• DSSTox Substance ID: DTXSID20361387
• Nikkaji Number: J357.215C
• Wikidata: Q82143707
• Mol file: 116922-22-6.mol

Synonyms:4-(3-Nitrophenyl)morpholine;116922-22-6;Morpholine, 4-(3-nitrophenyl)-;3-morpholinyl nitrobenzene;Meta-morpholino nitrobenzene;1-Morpholino-3-nitrobenzene;3-(4-Morpholinyl)nitrobenzene;SCHEMBL2376819;4-(3-Nitro-phenyl)-morpholine;SCHEMBL12247907;DTXSID20361387;AR3617;MFCD03195994;AKOS003293051;PS-5420;CS-0060382;FT-0726438;3-(2-METHYLTHIAZOL-4-YL)-BENZOYLCHLORIDE;A893483;SR-01000295913;SR-01000295913-1;W-204911;Z641308938

Chemical Property of 4-(3-Nitrophenyl)morpholine

Chemical Property:

• Vapor Pressure: 1.56E-05mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.577
• Boiling Point: 365.5 °C at 760 mmHg
• PKA: 2.72±0.40(Predicted)
• Flash Point: 174.9 °C
• PSA: 58.29000
• Density: 1.265 g/cm³
• LogP: 2.01960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Nitrophenyl)morpholine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 4-(3-Nitrophenyl)morpholine

There total 14 articles about 4-(3-Nitrophenyl)morpholine 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: 99.0%

morpholine (110-91-8,99108-56-2) + 3-Nitrochlorobenzene (121-73-3) → 3-morpholinonitrobenzene (116922-22-6)

Guidance literature:

With sodium t-butanolate; palladium diacetate; [(μ-PPh2CH2PPh2)Co2(CO)4][μ,η-PhCCP(tBu)2]; In toluene; at 60 ℃; for 4h;

DOI:10.1002/ejic.200500306

Reference yield: 98.0%

morpholine (110-91-8,99108-56-2) + 3-fluoro-1-nitrobenzene (402-67-5) → 3-morpholinonitrobenzene (116922-22-6)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 60h;

DOI:10.1016/S0040-4039(98)02570-2

Reference yield: 83.0%

morpholine (110-91-8,99108-56-2) + 3-nitrophenyl(2,4,6-trimethoxyphenyl)iodonium trifluoroacetate → 3-morpholinonitrobenzene (116922-22-6)

Guidance literature:

With potassium fluoride; In water; 1,2-dichloro-ethane; at 70 ℃; for 24h; Sealed tube;

DOI:10.1002/anie.201610086

upstream raw materials:

morpholine

3-fluoro-1-nitrobenzene

4-Phenylmorpholine

3-Nitrochlorobenzene

Downstream raw materials:

3-morpholine-4-ylaniline

4-(4-bromo-3-nitrophenyl)morpholine

C₂₈H₃₁N₇O₃