3-Morpholin-4-ylaniline

Base Information

• Chemical Name: 3-Morpholin-4-ylaniline
• CAS No.: 159724-40-0
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• Hs Code.: 2934999090
• European Community (EC) Number: 641-204-5
• UNII: YXH5JD37G3
• DSSTox Substance ID: DTXSID60357224
• Nikkaji Number: J1.966.306J
• Wikidata: Q72493078
• Mol file: 159724-40-0.mol

Synonyms:3-morpholin-4-ylaniline;159724-40-0;3-Morpholinoaniline;3-(4-Morpholinyl)aniline;3-(morpholin-4-yl)aniline;Benzenamine, 3-(4-morpholinyl)-;3-morpholinobenzenamine;MFCD03197165;3-Morpholin-4-yl-aniline;3-(4-morpholinyl)benzenamine;3-Morpholin-4-yl-phenylamine;3-morpholinylaniline;Meta-morpholino aniline;3-Morpholin-4-yl aniline;3-(4Morpholinyl)benzenamine;YXH5JD37G3;SCHEMBL224567;DTXSID60357224;CHEBI:194922;STK133091;3-Morpholin-4-ylaniline, AldrichCPR;AKOS000101169;AC-2711;AS-5487;CS-W003031;SY002639;AM20060447;FT-0643551;EN300-50538;A810060;W-205850;Z57472575

Chemical Property of 3-Morpholin-4-ylaniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 118 °C
• Refractive Index: 1.59
• Boiling Point: 369.905 °C at 760 mmHg
• PKA: 5.27±0.10(Predicted)
• Flash Point: 177.513 °C
• PSA: 38.49000
• Density: 1.149g/cm³
• LogP: 1.75160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

3-Morpholin-4-ylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 22-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=CC(=C2)N
• Uses: 3-Morpholin-4-ylaniline can be used to prevent and treat influenza.

Technology Process of 3-Morpholin-4-ylaniline

There total 18 articles about 3-Morpholin-4-ylaniline 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: 100.0%

3-morpholinonitrobenzene (116922-22-6) → 3-morpholine-4-ylaniline (159724-40-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; at 20 ℃; for 8h; under 2585.74 Torr;

DOI:10.1021/jm050765n

Reference yield: 100.0%

→ 3-morpholine-4-ylaniline (159724-40-0)

Guidance literature:

Reference yield: 91.0%

tert-butyl (3-morpholinophenyl) carbamate (1542259-01-7) → 3-morpholine-4-ylaniline (159724-40-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

upstream raw materials:

morpholine

3-chloro-aniline

4-bromo-aniline

3-morpholinonitrobenzene

Downstream raw materials:

C₂₈H₃₁N₇O₃

4-(3-hydrazinylphenyl)morpholine

4-methyl-3-nitro-N-(3-morpholinophenyl)benzamide

methyl 1-(3-morpholinophenyl)-5-phenyl-1H-imidazole-4-carboxylate

Refernces

• 1、 Shi, Lei,Wang, Min,Fan, Chun-An,Zhang, Fu-Min,Tu, Yong-Qiang. "Rapid and Efficient Microwave-Assisted Amination of Electron-Rich Aryl Halides without a Transition-Metal Catalyst". . p. 3515 - 3517. Retrieved 2003.
• 2、 Jeon, Young-Kyo,Kim, Won-Suk. "1,3-Aza-Brook Rearrangement of Aniline Derivatives: In Situ Generation of 3-Aminoaryne via 1,3-C-(sp2)-to-N Silyl Migration". supporting information. p. 7545 - 7549. Retrieved 2021/10/12.