4,4'-Diaminobenzophenone

Base Information

• Chemical Name: 4,4'-Diaminobenzophenone
• CAS No.: 611-98-3
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• Hs Code.: 29223990
• NSC Number: 6096
• UNII: Y4N7TYW77X
• DSSTox Substance ID: DTXSID20209997
• Nikkaji Number: J39.695H
• Wikidata: Q27294261
• ChEMBL ID: CHEMBL79925
• Mol file: 611-98-3.mol

Synonyms:4,4'-diaminobenzophenone

Chemical Property of 4,4'-Diaminobenzophenone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 243-247 °C(lit.)
• Boiling Point: 452.8 °C at 760 mmHg
• PKA: 2.81±0.10(Predicted)
• Flash Point: 227.7 °C
• PSA: 69.11000
• Density: 1.233 g/cm³
• LogP: 3.24440
• Storage Temp.: Store below +30°C.
• Solubility.: almost transparency in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

98%, ^*data from raw suppliers

4,4'-Diaminobenzophenone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N

Technology Process of 4,4'-Diaminobenzophenone

There total 35 articles about 4,4'-Diaminobenzophenone 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: 66.0%

4,4'-dinitrobenzophenone (1033-26-7) → 4,4'-diaminobenzophenone (611-98-3)

Guidance literature:

With tin(ll) chloride; In ethanol; at 70 ℃; for 0.75h;

Reference yield: 35.0%

4,4'-diamino diphenyl methane (101-77-9) → 4,4'-diaminobenzophenone (611-98-3)

Guidance literature:

With palladium on activated charcoal; water; caesium carbonate; In N,N-dimethyl acetamide; at 110 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.1c04154

Reference yield:

methanol (67-56-1) + carbon monoxide (201230-82-2) + 4,4'-diamino diphenyl methane (101-77-9) → 4,4'-diaminobenzophenone (611-98-3) + dimethyl 4,4'-methylenebis(1,4-phenylene)diurethane (7450-63-7)

Guidance literature:

With oxygen; triphenylphosphine; bis(triphenylphosphine)gold(I) chloride; at 200 ℃; for 3h; under 37503.8 Torr;

DOI:10.1039/b009575n

upstream raw materials:

bis(4-nitrophenyl)methane

4,4'-dinitrobenzophenone

4-amino-4'-nitro-benzophenone

4,4'-bis(acetamido)benzophenone

Downstream raw materials:

4,4'-bis-(2-pyridinethiocarboxamido)-benzophenone

4,4'-Dihydroxybenzophenone

4.4'-diamino-diphenylcarbinol

4,4’,4’’,4’’’-(ethene-1,1,2,2-tetrayl)tetraaniline