Methanone, bis(3,4-diaminophenyl)-

Base Information

• Chemical Name: Methanone, bis(3,4-diaminophenyl)-
• CAS No.: 5007-67-0
• Molecular Formula: C13H14N4O
• Molecular Weight: 242.28
• Hs Code.: 2922399090
• European Community (EC) Number: 225-683-4
• DSSTox Substance ID: DTXSID3063675
• Nikkaji Number: J203.241D
• Wikidata: Q72504517
• Mol file: 5007-67-0.mol

Synonyms:5007-67-0;bis(3,4-diaminophenyl)methanone;3,3',4,4'-Tetraaminobenzophenone;Methanone, bis(3,4-diaminophenyl)-;EINECS 225-683-4;3.3/'.4.4/'-Tetra aminobenzophenone;3.3'.4.4'-TETRA AMINOBENZOPHENONE;CBMicro_013166;Cambridge id 5180144;Oprea1_741917;SCHEMBL680167;Bis(3,4Diaminophenyl)methanone;YSCH0129;DTXSID3063675;3,3',4,4'-tetraminobenzophenone;AMY16105;bis(3,4-Diaminophenyl)methan2weeks;SMSF0004151;AKOS000601249;3, 3', 4, 4'-tetraminobenzophenone;CB03102;BS-52255;BIM-0013217.P001;3,3',4,4'-TETRA AMINOBENZOPHENONE;CS-0379137;FT-0710518;E77186

Chemical Property of Methanone, bis(3,4-diaminophenyl)-

Chemical Property:

• Melting Point: 216-218℃
• Boiling Point: 591.1±50.0 °C(Predicted)
• PKA: 3.06±0.10(Predicted)
• Flash Point: 311.3oC
• PSA: 121.15000
• Density: 1.371
• LogP: 3.57120
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.11676108
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

3,3',4,4'-TETRA AMINO BENZOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)N)N)N

Technology Process of Methanone, bis(3,4-diaminophenyl)-

There total 8 articles about Methanone, bis(3,4-diaminophenyl)- 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: 65.0%

4,4'-diamino-3,3'-dinitrobenzophenone (19014-16-5) → 3,3',4,4'-tetraaminobenzophenone (5007-67-0)

Guidance literature:

With hydrogen; nickel; In ethanol; for 16h; under 1838.8 Torr;

Reference yield:

4,4'-dichloro-3,3'-dinitrobenzophenone (7498-65-9) → 3,3',4,4'-tetraaminobenzophenone (5007-67-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / aq. NH₃ / ethanol / 24 h / 140 °C

2: 65 percent / H₂ / Raney-nickel / ethanol / 16 h / 1838.8 Torr

With ammonium hydroxide; hydrogen; nickel; In ethanol;

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 3,3',4,4'-tetraaminobenzophenone (5007-67-0)

Guidance literature:

Multi-step reaction with 4 steps

1: AlCl₃

2: nitric acid

3: alcoholic ammonia / 150 °C

4: tin dichloride; aqueous-alcoholic hydrochloric acid

With hydrogenchloride; aluminium trichloride; ammonia; nitric acid; tin(ll) chloride;

upstream raw materials:

4,4'-diamino-3,3'-dinitrobenzophenone

4,4'-dichloro-3,3'-dinitrobenzophenone

bromobenzene

4-bromo-3-nitrobenzoyl chloride

Downstream raw materials:

bis(dihydro-2-phenyl-1H-1,3,2-benzo diaza borolane-5-yl)ketone

2,2'-bis(carbomethoxyamino)-5,5'-dibenzimidazolyl ketone

C₁₉H₁₆N₆O₅

Refernces

• 1、 Viswanathan, N.,Joshi, B. S.,Gawad, D. H.,Gokhale, U. B.,Sidhaye, A. R.,Rajasekariah, G. R.. "Synthesis and Anthelmintic Activity of Bisbenzimidazole-2-carbamates". . p. 730 - 732. Retrieved 2007/10/02.