N1-(2-Ethoxyethyl)benzene-1,2-diamine

Base Information

• Chemical Name: N1-(2-Ethoxyethyl)benzene-1,2-diamine
• CAS No.: 95893-89-3
• Molecular Formula: C10H16N2O
• Molecular Weight: 180.25
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID10545250
• Nikkaji Number: J1.629.993F
• Mol file: 95893-89-3.mol

Synonyms:N1-(2-Ethoxyethyl)benzene-1,2-diamine;95893-89-3;SCHEMBL10498572;DTXSID10545250;N-(2-Ethoxy-ethyl)-benzene-1,2-diamine;N~1~-(2-Ethoxyethyl)benzene-1,2-diamine

Chemical Property of N1-(2-Ethoxyethyl)benzene-1,2-diamine

Chemical Property:

• PSA: 47.28000
• LogP: 2.37140
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.126263138
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

N1-(2-Ethoxyethyl)benzene-1,2-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCNC1=CC=CC=C1N

Technology Process of N1-(2-Ethoxyethyl)benzene-1,2-diamine

There total 8 articles about N1-(2-Ethoxyethyl)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: 97.0%

N-ethoxyethyl-N'-tert-butoxycarbonyl o-phenylenediamine → N-(β-ethoxyethyl)-o-phenylenediamine (95893-89-3)

Guidance literature:

With hydrogenchloride; In methanol; for 20h; Reagent/catalyst;

Reference yield: 95.0%

N-(β-ethoxyethyl)-o-nitroaniline (95893-88-2) → N-(β-ethoxyethyl)-o-phenylenediamine (95893-89-3)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; at 5 - 10 ℃; for 3h; under 2250.23 - 3000.3 Torr;

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N-(β-ethoxyethyl)-o-phenylenediamine (95893-89-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 2-methyltetrahydrofuran; dimethyl sulfoxide / 23.5 h / 10 - 45 °C / Inert atmosphere

2: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 5 - 10 °C / 2250.23 - 3000.3 Torr

With 5%-palladium/activated carbon; hydrogen; potassium carbonate; In 2-methyltetrahydrofuran; ethanol; dimethyl sulfoxide;

upstream raw materials:

N-(β-ethoxyethyl)-o-nitroaniline

2-[(2-nitrophenyl)amino]ethanol

2-Chloronitrobenzene

ortho-nitrofluorobenzene

Downstream raw materials:

4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidine]ethyl]-α,α-dimethylphenylacetic acid methyl ester

4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidine]ethyl]-α,α-dimethylphenylacetic acid methyl ester hydrochloride

Bilastine

2-(1-(4-bromophenethyl)piperidin-4-yl)-1-(2-ethoxyethyl)-1H-benzo[d]imidazole

Refernces

• 1、 -. "5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER". Page/Page column 265; 266. . Retrieved 2019/04/10.
• 2、 -. "A PROCESS FOR THE PREPARATION OF A DERIVATIVE OF 2-METHYL-2'-PHENYLPROPIONIC ACID USING NEW INTERMEDIATES". Page/Page column 14. . Retrieved 2014/03/22.