4-Morpholinyl(4-nitrophenyl)methanone

Basic Information

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CAS Number

5397-76-2

Molecular Formula

C11H12N2O4

Molecular Weight

236.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

100-103°C

Boiling Point

443.6°C at 760 mmHg

Density

1.331

Flash Point

222.1°C

Refractive Index

1.589

SMILES

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C1COCCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4/c14-11(12-5-7-17-8-6-12)9-1-3-10(4-2-9)13(15)16/h1-4H,5-8H2

InChIKey

VGGZQWDRWOXJTA-UHFFFAOYSA-N

LogP

1.52830

Complexity

288

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Oprea1_228047
morpholin-4-yl-(4-nitrophenyl)methanone
SCHEMBL520702
Morpholine, 4-p-nitrobenzoyl-
FT-0680605
morpholino(4-nitrophenyl)methanone
4-morpholinyl-(4-nitrophenyl)methanone
AKOS000495873
cid_220838
4-Nitrobenzoic acid, morpholide
SR-01000393887
MLS002637737
F96348
7X-0701
5397-76-2
DTXSID80277798
morpholin-4-yl-(4-nitrophenyl)-methanone
MFCD00451121
F0808-1096
CS-0207065
NSC4261
SMR001470003
4-nitrobenzoylmorpholine
(Morpholin-4-yl)(4-nitrophenyl)methanone
HMS3091A03
4-Morpholinyl(4-nitrophenyl)methanone
J-522726
SR-01000393887-1
Morpholin-4-yl-(4-nitro-phenyl)-methanone
1-Morpholin-4-yl-1-(4-nitro-phenyl)-methanone
BDBM114939

MDL Number

MFCD00451121

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Morpholinyl(4-nitrophenyl)methanone (CAS: 5397-76-2)?

4-Morpholinyl(4-nitrophenyl)methanone has a crystalline form with a molecular weight of approximately 286.14 g/mol. It is sparingly soluble in water but soluble in ethanol and methanol. Chemically, it is relatively stable but can undergo nitro reduction reactions under certain conditions. It is an important intermediate in organic synthesis, often used in reactions involving nucleophilic substitution and condensation.

How is 4-Morpholinyl(4-nitrophenyl)methanone (CAS: 5397-76-2) typically synthesized?

4-Morpholinyl(4-nitrophenyl)methanone is typically synthesized via the coupling of 4-nitrobenzaldehyde and morpholine in the presence of a base such as sodium hydroxide or potassium carbonate. The reaction is conducted in polar aprotic solvents like dimethylformamide (DMF) or N,N-dimethylacetamide (DMAc) at elevated temperatures, often around 80-90°C. The yield can be up to 85% with good selectivity.

What industries use 4-Morpholinyl(4-nitrophenyl)methanone (CAS: 5397-76-2)?

4-Morpholinyl(4-nitrophenyl)methanone is used in various industries, including pharmaceuticals, where it serves as a precursor to medicinal compounds. It is also utilized in the production of polymers and as a reagent in sensor and semiconductor applications due to its unique chemical properties and reactivity.

What precautions should be taken when handling 4-Morpholinyl(4-nitrophenyl)methanone (CAS: 5397-76-2)?

When handling 4-Morpholinyl(4-nitrophenyl)methanone, it is essential to use personal protective equipment (PPE) such as gloves and goggles to protect against skin and eye contact. Work should be conducted in a fume hood due to its volatile nature. Spills should be cleaned up immediately using a compatible absorbent material, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.