1-N-(2-aminoethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 1-N-(2-aminoethyl)benzene-1,2-diamine
• CAS No.: 128995-76-6
• Molecular Formula: C8H13 N3
• Molecular Weight: 151.211
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID30364480
• Nikkaji Number: J1.706.995K
• Wikidata: Q82148459
• Mol file: 128995-76-6.mol

Synonyms:128995-76-6;1-N-(2-aminoethyl)benzene-1,2-diamine;N-(2-amino-ethyl)-benzene-1,2-diamine;N1-(2-Aminoethyl)benzene-1,2-diamine;2-N-(2-aminoethyl)benzene-1,2-diamine;1,2-Benzenediamine, N1-(2-aminoethyl)-;MFCD06245464;N-(2-aminoethyl)benzene-1,2-diamine;Oprea1_794662;SCHEMBL8306026;DTXSID30364480;AKOS002665338;SB76423;N-(2-aminoethyl)-benzene-1,2-diamine;N*1*-(2-Aminoethyl)-1,2-benzenediamine;FT-0695136;EN300-73112;F2147-0178;Z991530054

Chemical Property of 1-N-(2-aminoethyl)benzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Boiling Point: 333.4°Cat760mmHg
• Flash Point: 182.1°C
• PSA: 64.07000
• Density: g/cm³
• LogP: 1.99390
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.110947427
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

1-N-(2-aminoethyl)benzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)NCCN

Technology Process of 1-N-(2-aminoethyl)benzene-1,2-diamine

There total 5 articles about 1-N-(2-aminoethyl)benzene-1,2-diamine 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:

N-(2-nitrophenyl)ethylenediamine (51138-16-0) → N-(2-aminophenyl)ethylenediamine (128995-76-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

2-Chloronitrobenzene (88-73-3) → N-(2-aminophenyl)ethylenediamine (128995-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / 24 h / 120 °C

2: H₂ / Pd/C / ethanol / 20 °C / 3102.89 Torr

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1055/s-2005-870019

Reference yield:

1,2-diamino-benzene (95-54-5) → N-(2-aminophenyl)ethylenediamine (128995-76-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / DCC / tetrahydrofuran / 4 h / 20 °C

2: 98 percent / H₂ / Pd/C / ethanol / 24 h / 20 °C

3: BH₃*DMS / tetrahydrofuran / 28 h / Heating

With dimethylsulfide borane complex; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1039/b413758b

upstream raw materials:

N-(2-nitrophenyl)ethylenediamine

2-amino-N-(2-aminophenyl)ethanamide

2-Chloronitrobenzene

1,2-diamino-benzene

Downstream raw materials:

N-(2-benzimidazol-1-yl-ethyl)-formamide

2-Benzimidazol-1-ylethylamine

Refernces

• 1、 Singh, Ram,Geetanjali. "Synthesis of selected novel covalently linked flavoquinolones". . p. 2315 - 2320. Retrieved 2007/10/03.