3,4-Diaminobenzophenone hydrochloride

Base Information

• Chemical Name: 3,4-Diaminobenzophenone hydrochloride
• CAS No.: 57070-71-0
• Molecular Formula: C13H12 N2 O . Cl H
• Molecular Weight: 248.712
• European Community (EC) Number: 260-541-5
• Mol file: 57070-71-0.mol

Synonyms:57070-71-0;3,4-DIAMINOBENZOPHENONE MONOHYDROCHLORIDE;3,4-Diaminobenzophenone hydrochloride;(3,4-Diaminophenyl)(phenyl)methanone hydrochloride;(3,4-diaminophenyl)-phenylmethanone;hydrochloride;EINECS 260-541-5;4-benzoylbenzene-1,2-diamine hydrochloride;AKOS024319177;SB81062;FT-0640434;EN300-20914;(3,4-Diaminophenyl)(phenyl)methanonehydrochloride;(3,4-diaminophenyl)-phenyl-methanone hydrochloride;A831302

Chemical Property of 3,4-Diaminobenzophenone hydrochloride

Chemical Property:

• Appearance/Colour: GREENISH TO DARK BROWN GRANULAR CRYSTALLINE POWDER
• Vapor Pressure: 5.76E-08mmHg at 25°C
• Melting Point: 210-215 °C
• Boiling Point: 440.7 °C at 760 mmHg
• Flash Point: 220.3 °C
• PSA: 69.11000
• Density: 1.233g/cm³
• LogP: 4.04640
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.0716407
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

98%Min ^*data from raw suppliers

4-Benzoylbenzene-1,2-diamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Diaminobenzophenone hydrochloride

There total 5 articles about 3,4-Diaminobenzophenone hydrochloride 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: 80.0%

3,4-dinitrobenzophenone (33609-48-2) → (3,4-diaminophenyl)phenylmethanone hydrochloride (57070-71-0)

Guidance literature:

With hydrogen; nickel; In tetrahydrofuran;

Reference yield:

3,4-dinitrobenzoic acid (528-45-0) → (3,4-diaminophenyl)phenylmethanone hydrochloride (57070-71-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) SOCl₂, 2.) AlCl₃ / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h

2: 80 percent / H₂ / Raney nickel / tetrahydrofuran

With aluminium trichloride; thionyl chloride; hydrogen; nickel; In tetrahydrofuran;

Reference yield:

3,4-Dinitrotoluene (610-39-9) → (3,4-diaminophenyl)phenylmethanone hydrochloride (57070-71-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / CrO₃, aq. H₂SO₄ / 1.) 35 deg C, 0.5 h, 2.) 45-55 deg C, 4 h

2: 1.) SOCl₂, 2.) AlCl₃ / 1.) reflux, 10 min, 2.) room temp., 24 h, then 40-50 deg C, 0.5 h

3: 80 percent / H₂ / Raney nickel / tetrahydrofuran

With chromium(VI) oxide; aluminium trichloride; thionyl chloride; sulfuric acid; hydrogen; nickel; In tetrahydrofuran;

upstream raw materials:

3,4-dinitrobenzophenone

3,4-dinitrobenzoic acid

3,4-Dinitrotoluene

4-methyl-2-nitro-1-nitrosobenzene

Downstream raw materials:

(2-amino-1H-benzo[d]imidazol-6-yl)(phenyl)methanone

2-acetamido-5⁽⁶⁾-benzoylbenzimidazole

6-<5-Benzoylbenzimidazol-2-yl-thio>hexanoic Acid

Diethyl-thiocarbamic acid S-(5-benzoyl-1H-benzoimidazol-2-yl) ester

Refernces