N,N-Dimethyl-4-nitrobenzylamine

Base Information

• Chemical Name: N,N-Dimethyl-4-nitrobenzylamine
• CAS No.: 15184-96-0
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.206
• Hs Code.: 2921499090
• NSC Number: 191304,128168
• DSSTox Substance ID: DTXSID00299093
• Nikkaji Number: J1.319.090I
• Wikidata: Q82041288
• Mol file: 15184-96-0.mol

Synonyms:N,N-Dimethyl-4-nitrobenzylamine;15184-96-0;N,N-dimethyl-1-(4-nitrophenyl)methanamine;Benzenemethanamine, N,N-dimethyl-4-nitro-;dimethyl-(4-nitro-benzyl)-amine;MFCD00035956;N,N-Dimethyl(4-nitrophenyl)methanamine;dimethyl[(4-nitrophenyl)methyl]amine;NSC128168;4-nitro-dimethylbenzylamine;dimethyl-4-nitrobenzylamine;dimethyl-4-nitro-benzylamine;dimethyl-(4-nitrobenzyl)-amine;SCHEMBL3153458;N,N-dimethyl-p-nitrobenzylamine;SCHEMBL13981951;DTXSID00299093;AMY14069;NSC191304;AKOS022183377;N,N-dimethyl(4-nitrophenyl)methyamine;DS-3109;NSC-128168;NSC-191304;dimethyl-[(4-nitrophenyl)-methyl]-amine;N,N-Dimethyl(4-nitrophenyl)methanamine #;SY017308;CS-0151297;FT-0749218;A884060;AE-562/43460544

Chemical Property of N,N-Dimethyl-4-nitrobenzylamine

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Melting Point: 118-119 °C
• Boiling Point: 262.4°Cat760mmHg
• PKA: 7.93±0.28(Predicted)
• Flash Point: 112.5°C
• PSA: 49.06000
• Density: 1.141g/cm³
• LogP: 2.17960
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl-4-nitrobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of N,N-Dimethyl-4-nitrobenzylamine

There total 26 articles about N,N-Dimethyl-4-nitrobenzylamine 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: 99.0%

4-nitrobenzyl chloride (100-14-1) + dimethyl amine (124-40-3) → 4-(N,N-dimethylaminomethyl)nitrobenzene (15184-96-0)

Guidance literature:

In water; 4-methyl-2-pentanone; at 20 - 35 ℃;

DOI:10.1021/jm900431g

Reference yield: 95.0%

4-nitrobenzaldehdye (555-16-8) + dimethyl amine (124-40-3) → 4-(N,N-dimethylaminomethyl)nitrobenzene (15184-96-0)

Guidance literature:

4-nitrobenzaldehdye; dimethyl amine; With titanium(IV) isopropylate; In methanol; at 20 ℃;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1.5h;

DOI:10.1080/00397910008087249

Reference yield: 94.0%

(dimethylamino)dimethylsilane (22705-32-4) + 4-nitrobenzaldehdye (555-16-8) → 4-(N,N-dimethylaminomethyl)nitrobenzene (15184-96-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 20 ℃; for 48h;

DOI:10.1055/s-2001-17486

upstream raw materials:

N,N'-dimethylbenzylamine

formic acid

hexamethylenetetramine

4-nitrobenzyl chloride

Downstream raw materials:

dimethyl-<(p-nitrobenzyl)phenacyl>ammonium bromide

(4-nitrobenzyl)trimethylammonium iodide

4-(dimethylaminomethyl)aniline

N,N-dimethyl(benzyl-d7)amine