4-(Dimethylamino)-3-nitrobenzonitrile

Base Information

• Chemical Name: 4-(Dimethylamino)-3-nitrobenzonitrile
• CAS No.: 19005-63-1
• Molecular Formula: C9H9 N3 O2
• Molecular Weight: 191.189
• Hs Code.: 2926909090
• European Community (EC) Number: 633-771-2
• DSSTox Substance ID: DTXSID10402076
• Nikkaji Number: J3.195.630G
• Wikidata: Q82205433
• Mol file: 19005-63-1.mol

Synonyms:4-(dimethylamino)-3-nitrobenzonitrile;19005-63-1;4-Dimethylamino-3-nitrobenzonitrile;4-dimethylamino-3-nitro-benzonitrile;SCHEMBL4302467;DTXSID10402076;3-Nitro-4-dimethylaminobenzonitrile;MFCD01411865;STK412471;4-DIMETHYLAMINO-3-NITROBENZON;AKOS000428293;LS-09587;4-Dimethylamino-3-nitrobenzonitrile, 97%;BB 0246120;CS-0204767;J-012271

Chemical Property of 4-(Dimethylamino)-3-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 8.84E-06mmHg at 25°C
• Melting Point: 111-115 °C
• Refractive Index: 1.581
• Boiling Point: 373.6°C at 760 mmHg
• Flash Point: 179.8°C
• PSA: 72.85000
• Density: 1.26g/cm³
• LogP: 2.05568
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.069476538
• Heavy Atom Count: 14
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

4-Dimethylamino-3-nitrobenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Technology Process of 4-(Dimethylamino)-3-nitrobenzonitrile

There total 10 articles about 4-(Dimethylamino)-3-nitrobenzonitrile 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%

4-chloro-3-nitrobenzonitrile (939-80-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(dimethylamino)-3-nitrobenzonitrile (19005-63-1)

Guidance literature:

N,N-dimethyl-formamide; With ammonia; In water; at 240 ℃; for 0.666667h;

4-chloro-3-nitrobenzonitrile; In water; for 0.333333h;

DOI:10.1021/jo400390t

Reference yield: 94.0%

4-Amino 3-nitro-benzonitrile (6393-40-4) + methyl iodide (74-88-4) → 4-(dimethylamino)-3-nitrobenzonitrile (19005-63-1)

Guidance literature:

4-Amino 3-nitro-benzonitrile; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 1.5h;

DOI:10.1021/jm500115w

Reference yield:

4-bromo-3-nitrobenzonitrile (89642-49-9) + dimethyl amine (124-40-3) → 4-(dimethylamino)-3-nitrobenzonitrile (19005-63-1)

Guidance literature:

With ethanol; at 150 ℃; im Rohr;

upstream raw materials:

4-bromo-3-nitrobenzonitrile

dimethyl amine

4-chloro-3-nitrobenzonitrile

4-dimethylamino-3-nitrobenzaldehyde

Downstream raw materials:

4-(methyl-nitro-amino)-3,5-dinitro-benzonitrile

3-amino-4-(dimethylamino)benzonitrile

3-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methylamino)-4-(dimethylamino)benzonitrile

3-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methylamino)-4-(dimethylamino)benzonitrile hydrochloride