(4-Amino-3-methylphenyl)(4-aminophenyl)methanone

Base Information

• Chemical Name: (4-Amino-3-methylphenyl)(4-aminophenyl)methanone
• CAS No.: 121125-68-6
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.278
• ChEMBL ID: CHEMBL167807
• DSSTox Substance ID: DTXSID10560084
• Wikidata: Q82443063
• Mol file: 121125-68-6.mol

Synonyms:121125-68-6;(4-Amino-3-methylphenyl)(4-aminophenyl)methanone;CHEMBL167807;SCHEMBL7195606;DTXSID10560084

Chemical Property of (4-Amino-3-methylphenyl)(4-aminophenyl)methanone

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N)N

Technology Process of (4-Amino-3-methylphenyl)(4-aminophenyl)methanone

There total 5 articles about (4-Amino-3-methylphenyl)(4-aminophenyl)methanone 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:

(4-Amino-3-methyl-phenyl)-bis-(4-amino-phenyl)-methanol (76-82-4) + water (7732-18-5) → 4,4'-Dihydroxybenzophenone (611-99-4) + 4,4'-diamino-3-methyl-benzophenone (121125-68-6) + ammonia (7664-41-7) + phenol (108-95-2,27073-41-2)

Guidance literature:

at 270 ℃; im geschlossenen Gefaess;Produkt 5:Amino-oxy-methyl-benzophenon;

Reference yield:

N-(2-methylphenyl)acetamide (120-66-1) → 4,4'-diamino-3-methyl-benzophenone (121125-68-6)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃ / nitrobenzene / 100 °C

2: Fe, NH₄Cl / ethanol; H₂O / Heating

3: conc. aq. HCl / ethanol / Heating

With hydrogenchloride; aluminium trichloride; iron; ammonium chloride; In ethanol; water; nitrobenzene;

DOI:10.1016/S0960-894X(97)10192-5

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4,4'-diamino-3-methyl-benzophenone (121125-68-6)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃ / nitrobenzene / 100 °C

2: Fe, NH₄Cl / ethanol; H₂O / Heating

3: conc. aq. HCl / ethanol / Heating

With hydrogenchloride; aluminium trichloride; iron; ammonium chloride; In ethanol; water; nitrobenzene;

DOI:10.1016/S0960-894X(97)10192-5

upstream raw materials:

(4-Amino-3-methyl-phenyl)-bis-(4-amino-phenyl)-methanol

water

N-(2-methylphenyl)acetamide

4-nitro-benzoyl chloride