N-(4-aminophenyl)-N'-methylurea

Base Information

• Chemical Name: N-(4-aminophenyl)-N'-methylurea
• CAS No.: 111087-13-9
• Molecular Formula: C8H11N3O
• Molecular Weight: 165.19200
• DSSTox Substance ID: DTXSID50552963
• Mol file: 111087-13-9.mol

Synonyms:1-(4-aminophenyl)-3-methylurea;111087-13-9;N-(4-aminophenyl)-N'-methylurea;Urea, N-(4-aminophenyl)-N'-methyl-;SCHEMBL7298885;DTXSID50552963;AKOS009127654;CS-0244439;EN300-27790;G24712;Z246671880

Chemical Property of N-(4-aminophenyl)-N'-methylurea

Chemical Property:

• PSA: 70.64000
• LogP: 1.87870
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.090211983
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Aminophenyl)-3-methylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)NC1=CC=C(C=C1)N

Technology Process of N-(4-aminophenyl)-N'-methylurea

There total 4 articles about N-(4-aminophenyl)-N'-methylurea 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: 75.0%

methyl isocyanate (624-83-9) + 1,4-phenylenediamine (106-50-3) → N-(4-aminophenyl)-N'-methylurea (111087-13-9)

Guidance literature:

In chloroform;

DOI:10.1021/jm00396a039

Reference yield:

C13H19N3O3 → N-(4-aminophenyl)-N'-methylurea (111087-13-9)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 20 ℃; for 2h;

Reference yield:

1,4-phenylenediamine (106-50-3) → N-(4-aminophenyl)-N'-methylurea (111087-13-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate / tetrahydrofuran / 20 °C

2: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 6 h / Reflux

3: hydrogenchloride / water; ethanol / 2 h / 20 °C

With hydrogenchloride; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; ethanol; water;

upstream raw materials:

methyl isocyanate

1,4-phenylenediamine

N-(tert-butoxycarbonyl)-1,4-phenylenediamine

Downstream raw materials:

1,2-dideoxy-1-<3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl>-N-<4-(3-methylureido)phenyl>-β-D-ribofuranuronamide

C₁₉H₁₉N₉O

1-dideoxy-1-<3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl>-N-<4-(3-methylureido)phenyl>-β-D-ribofuranuronamide

2-Chloro-N-[4-(3-methyl-ureido)-phenyl]-nicotinamide