(Z)-4-Nitrochalcone

Base Information

• Chemical Name: (Z)-4-Nitrochalcone
• CAS No.: 1222-98-6
• Molecular Formula: C15H11 N O3
• Molecular Weight: 253.257
• Hs Code.: 2914700090
• NSC Number: 3383
• Nikkaji Number: J351.323H
• Mol file: 1222-98-6.mol

Synonyms:NSC-3383;(Z)-4-Nitrochalcone;p-nitrobenzalacetophenone;SCHEMBL11803175;NSC3383;AKOS027461253

Chemical Property of (Z)-4-Nitrochalcone

Chemical Property:

• Appearance/Colour: yellow to brown crystalline powder
• Vapor Pressure: 1.4E-06mmHg at 25°C
• Melting Point: 158-160oC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 399.2°Cat760mmHg
• Flash Point: 186.5°C
• PSA: 62.89000
• Density: 1.255g/cm³
• LogP: 4.01410
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.07389321
• Heavy Atom Count: 19
• Complexity: 345

Purity/Quality:

99%, ^*data from raw suppliers

4-Nitrochalcone 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: 4-Nitrochalcone was used in the synthesis of 2,3-dibromo-4-nitrochalcone.

Technology Process of (Z)-4-Nitrochalcone

There total 32 articles about (Z)-4-Nitrochalcone 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%

α-bromo-4-nitrochalcone (38270-12-1) → 4-nitrochalcone (1222-98-6)

Guidance literature:

With 4,5-Diamino-1,3-dimethyluracil; triethylamine; In methanol; for 2h; Heating;

DOI:10.1007/BF00474494

Reference yield: 98.0%

4-nitrobenzaldehdye (555-16-8) + acetophenone (98-86-2) → 4-nitrochalcone (1222-98-6)

Guidance literature:

With nickel schiff-base complex doped in porous P₂O₅-SiO₂; In water; at 55 ℃; for 0.416667h;

DOI:10.1080/10426507.2013.787996

Reference yield: 95.0%

3-(4-nitrophenyl)-1-phenylprop-2-en-1-ol (17245-24-8,39212-15-2) → 4-nitrochalcone (1222-98-6)

Guidance literature:

With 1-benzyl-1-aza-4-azoniabicyclo<2.2.2>octane periodate; In acetonitrile; for 60h; Heating;

upstream raw materials:

(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one

4-nitrobenzaldehdye

acetophenone

p-nitrochalcone dibromide

Downstream raw materials:

4,4''-azoxy-di-chalcone

p-nitrochalcone dibromide

3-(4-aminophenyl)-1-phenyl-2-propen-1-one

3-(2-morpholin-4-yl-ethylsulfanyl)-3-(4-nitro-phenyl)-1-phenyl-propan-1-one

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