3-(4,5-Dihydro-1H-imidazol-2-yl)aniline

Base Information

• Chemical Name: 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
• CAS No.: 94086-79-0
• Molecular Formula: C9H11 N3
• Molecular Weight: 161.206
• Hs Code.: 2933290090
• European Community (EC) Number: 301-869-1
• UNII: 0196353FZ5
• DSSTox Substance ID: DTXSID50240398
• Nikkaji Number: J291.227I
• Wikidata: Q27231415
• Mol file: 94086-79-0.mol

Synonyms:3-(4,5-Dihydro-1H-imidazol-2-yl)aniline;94086-79-0;UNII-0196353FZ5;EINECS 301-869-1;0196353FZ5;TimTec1_001665;Benzenamine, 3-(4,5-dihydro-1H-imidazol-2-yl)-;SCHEMBL4094123;DTXSID50240398;HMS1538L15;2-(M-AMINOPHENYL)IMIDAZOLINE;STK367893;AKOS001740539;NCGC00174187-01;EU-0086620;3-[(4,5-Dihydro-1H-imidazol)-2-yl]benzenamine;Phenylamine, 3-(4,5-dihydro-1H-imidazol-2-yl)-;Q27231415

Chemical Property of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline

Chemical Property:

• Vapor Pressure: 9.27E-05mmHg at 25°C
• Boiling Point: 339.3°Cat760mmHg
• PKA: 10.07±0.40(Predicted)
• Flash Point: 159°C
• PSA: 50.41000
• Density: 1.27g/cm³
• LogP: 0.96420
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

BENZENAMINE, 3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC(=CC=C2)N

Technology Process of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline

There total 4 articles about 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline 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: 92.3%

2-(3-nitrophenyl)-2-imidazoline (31659-42-4) → 2-(3-aminophenyl)imidazoline (94086-79-0)

Guidance literature:

2-(3-nitrophenyl)-2-imidazoline; With hydrogenchloride; In methanol; at 20 ℃; for 2h; pH=3.5;

With zinc; In methanol; for 1h; pH-value;

Reference yield:

3-nitrobenzonitrile (619-24-9) → 2-(3-aminophenyl)imidazoline (94086-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfur / methanol / 24 h / 67 °C / Large scale

2.1: palladium on activated charcoal; hydrogen / methanol / 0.25 h / 60 °C / Large scale

2.2: 2 h / Large scale

With palladium on activated charcoal; hydrogen; sulfur; In methanol;

Reference yield:

methyl 3-nitrobenzoate (618-95-1) → 2-(3-aminophenyl)imidazoline (94086-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfur / methanol / 5 h / 65 °C

2.1: hydrogenchloride / methanol / 2 h / 20 °C / pH 3.5

2.2: 1 h

With hydrogenchloride; sulfur; In methanol;

upstream raw materials:

methyl 3-nitrobenzoate

2-(3-nitrophenyl)-2-imidazoline

3-nitrobenzonitrile

Downstream raw materials:

imidocarb

2-(3-aminophenyl)-4,5-dihydro-1H-imidazol hydrochloride

Refernces

• 1、 -. "Preparation method of 2-(3-amino phenyl) imidazoline hydrochloride and imidocarb". Paragraph 0022; 0023; 0028; 0032; 0036; 0040. . Retrieved 2017/08/31.