trans-4'-Dimethylamino-4-nitrochalcone

Base Information

• Chemical Name: trans-4'-Dimethylamino-4-nitrochalcone
• CAS No.: 1234-17-9
• Molecular Formula: C17H16 N2 O3
• Molecular Weight: 296.326
• NSC Number: 204941
• DSSTox Substance ID: DTXSID00421256
• Nikkaji Number: J1.386.482I
• Wikidata: Q82232671
• ChEMBL ID: CHEMBL145172
• Mol file: 1234-17-9.mol

Synonyms:trans-4'-Dimethylamino-4-nitrochalcone;1234-17-9;MLS003107188;(E)-1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one;SMR001822064;NSC204941;CHEMBL145172;cid_307156;SCHEMBL7194766;BDBM94913;DTXSID00421256;AKOS000952000;NSC-204941;T5687930;Z45991850;1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)-2-propen-1-one;1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one

Chemical Property of trans-4'-Dimethylamino-4-nitrochalcone

Chemical Property:

• Vapor Pressure: 7.09E-09mmHg at 25°C
• Boiling Point: 466.4°C at 760 mmHg
• Flash Point: 235.9°C
• Density: 1.236g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 296.11609238
• Heavy Atom Count: 22
• Complexity: 412

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-4'-Dimethylamino-4-nitrochalcone

There total 2 articles about trans-4'-Dimethylamino-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: 80.0%

4-nitrobenzaldehdye (555-16-8) + 4'-dimethylaminoacetophenone (2124-31-4) → (E)-1-(4-(dimethylamino)phenyl)-3-(4-nitrophenyl)prop-2-en-1-one (1234-17-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 16h;

DOI:10.1021/jm980410m

Reference yield:

→ 1-(4-Dimethylamino-phenyl)-3-(4-nitro-phenyl)-propen-1-on (1234-17-9)

Guidance literature:

4-Nitro-benzaldehyd, 4-Dimethylamino-acetophenon in ethanol.-aq.NaOH;

Reference yield: 95.0%

(E)-1-(4-(dimethylamino)phenyl)-3-(4-nitrophenyl)prop-2-en-1-one (1234-17-9) + diethyl malonate (105-53-3) → (S)-diethyl 2-(3-(4-(dimethylamino)phenyl)-1-(4-nitrophenyl)-3-oxopropyl)malonate

Guidance literature:

With C₅₆H₆₂N₆O₂⁽²⁺⁾*2Br^(1-); sodium hydroxide; In water; toluene; at 0 ℃; for 2h; Reagent/catalyst; enantioselective reaction;

DOI:10.1016/j.tetlet.2015.07.074

upstream raw materials:

4-nitrobenzaldehdye

4'-dimethylaminoacetophenone

Downstream raw materials:

2-[5-(4-Dimethylamino-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone