3-Nitrochalcone

Base Information

• Chemical Name: 3-Nitrochalcone
• CAS No.: 24721-24-2
• Molecular Formula: C₁₅H₁₁NO₃
• Molecular Weight: 253.257
• European Community (EC) Number: 210-384-3
• NSC Number: 636933,5536
• Nikkaji Number: J236.593F,J96.211B
• Wikidata: Q76305541
• Pharos Ligand ID: CQYG5DABV6Z3
• ChEMBL ID: CHEMBL106824
• Mol file: 24721-24-2.mol

Synonyms:3-Nitrochalcone;614-48-2;3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-;Chalcone, 3-nitro-;(2E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;M-nitrobenzylidene acetophenone;(E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;24721-24-2;3-Nitrobenzylideneacetophenone;CCRIS 1670;3-Nitro-trans-chalcone;NSC 5536;EINECS 210-384-3;AI3-08902;CHEMBL106824;CMLDBU00000333;NSC636933;(E)-3-(3-Nitrophenyl)-1-phenyl-2-propen-1-one;2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-, (E)-;MFCD00024571;NSC5536;(E)-3-Nitrochalcone;UPCMLD00WMAL2-117;SCHEMBL3359800;JRG-4-5;SMFBODMWKWBFOK-MDZDMXLPSA-N;NSC-5536;BBL000311;BDBM50572882;STK078154;AKOS001017056;NSC-636933;3-(3-Nitro-phenyl)-1-phenyl-propenone;NCGC00161439-01;AS-64993;LS-52919;CS-0319718;T72709;A833234;(E)-3-(3-nitrophenyl)-1-phenyl-prop-2-en-1-one;Z46028353

Chemical Property of 3-Nitrochalcone

Chemical Property:

• Boiling Point: 418.7°Cat760mmHg
• Flash Point: 199.9°C
• Density: 1.255g/cm³
• 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: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 3-Nitrochalcone

There total 31 articles about 3-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: 97.0%

C22H18N2O3 → (E)-3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With iodine; triphenylphosphine; In dichloromethane; for 1.5h; stereoselective reaction; Reflux;

DOI:10.3184/174751913X13646666428217

Reference yield: 96.0%

3-nitro-benzaldehyde (99-61-6) + acetophenone (98-86-2) → 3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With potassium natural asphalt sulfonate nanoparticles; In ethanol; at 20 ℃; for 2.5h;

DOI:10.1002/aoc.5840

Reference yield: 96.0%

(E)-3-(3-Nitro-phenyl)-1-phenyl-prop-2-en-1-ol → 3-nitrochalcone (614-48-2,24721-24-2)

Guidance literature:

With 1,4-dibenzyl-1,4-diazoniabicyclo[2.2.2]octane chlorochromate; In acetonitrile; for 1h; Heating;

upstream raw materials:

3-nitro-benzaldehyde

acetophenone

1-phenylbutan-1,3-dione

1,1-diacetoxy-1-(3-nitrophenyl)methane

Downstream raw materials:

3-(3-methoxy-phenylsulfanyl)-3-(3-nitro-phenyl)-1-phenyl-propan-1-one

3-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-phenylpropan-1-one

4-(3-nitro-phenyl)-2-phenyl-6,7-dihydro-5H-[1]pyrindine

3-(3-nitro-phenyl)-1,3-diphenyl-propan-1-one

Refernces

• 1、 Barakat, Assem,Soliman, Saied M.,Al-Majid, Abdullah Mohammed,Lotfy, Gehad,Ghabbour, Hazem A.,Fun, Hoong-Kun,Yousuf, Sammer,Choudhary, M. Iqbal,Wadood, Abdul. "Synthesis and structure investigation of novel pyrimidine-2,4,6-trione derivatives of highly potential biological activity as anti-diabetic agent". . p. 365 - 376. Retrieved 2015.
• 2、 Sarojini, Perumal,Jeyachandran, Malaichamy,Sriram, Dharmarajan,Ranganathan, Palraj,Gandhimathi. "Facile microwave-assisted synthesis and antitubercular evaluation of novel aziridine derivatives". . . Retrieved 2021/02/26.