N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine

Base Information

• Chemical Name: N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine
• CAS No.: 21627-60-1
• Molecular Formula: C11H17N3O2
• Molecular Weight: 223.275
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID10276875
• Wikidata: Q82007628
• Mol file: 21627-60-1.mol

Synonyms:21627-60-1;N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine;N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine;SCHEMBL7973853;DTXSID10276875;AKOS005209236;2-(3-dimethylaminopropylamino)-nitrobenzene;N-[3-(DIMETHYLAMINO)PROPYL]-2-NITROANILINE;F1911-3518;N~1~,N~1~-Dimethyl-N~3~-(2-nitrophenyl)propane-1,3-diamine

Chemical Property of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine

Chemical Property:

• PSA: 61.09000
• LogP: 2.55460
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.132076794
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCNC1=CC=CC=C1[N+](=O)[O-]

Technology Process of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine

There total 3 articles about N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine 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: 64.0%

1-amino-3-(dimethylamino)propane (109-55-7) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine (21627-60-1)

Guidance literature:

In isopropyl alcohol; at 90 - 100 ℃; for 16h;

DOI:10.3390/molecules26144200

Reference yield:

2-Chloronitrobenzene (88-73-3) + 1-amino-3-(dimethylamino)propane (109-55-7) → N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine (21627-60-1)

Guidance literature:

In ethanol; for 24h; Heating;

Reference yield:

→ N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine (21627-60-1)

Guidance literature:

2-Nitrochlorbenzol, γ-Dimethylaminopropylamin, Cu, K2CO3;

upstream raw materials:

1-amino-3-(dimethylamino)propane

ortho-nitrofluorobenzene

2-Chloronitrobenzene

Downstream raw materials:

1-(3-dimethylamino-propyl)-1H-benzimidazole

N-[3-(Dimethylamino)propyl]-1,2-benzenediamine

1-(3-dimethylamino-propyl)-4-phenyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

1-dimetilamminopropil-3-metilchinossalin-2(1H)-one

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