3,9-Diaminoacridine

Base Information

• Chemical Name: 3,9-Diaminoacridine
• CAS No.: 951-80-4
• Molecular Formula: C₁₃H₁₁N₃
• Molecular Weight: 209.25
• Hs Code.: 2933990090
• UNII: FB6AX5A48U
• DSSTox Substance ID: DTXSID00241754
• Nikkaji Number: J55.100G
• Wikidata: Q83125318
• ChEMBL ID: CHEMBL147630
• Mol file: 951-80-4.mol

Synonyms:3,9-Diaminoacridine;Acridine-3,9-diamine;3,9-Acridinediamine;951-80-4;ACRIDINE, 3,9-DIAMINO-;CCRIS 2110;2,5-Diaminoacridine (European);BRN 0171920;FB6AX5A48U;5-22-11-00332 (Beilstein Handbook Reference);UNII-FB6AX5A48U;6,9-Diamino-acridin-Farbstoff;CHEMBL147630;SCHEMBL4163642;DTXSID00241754

Chemical Property of 3,9-Diaminoacridine

Chemical Property:

• Vapor Pressure: 7.06E-10mmHg at 25°C
• Melting Point: 146°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 493.4°Cat760mmHg
• Flash Point: 284.3°C
• PSA: 64.93000
• Density: 1.346g/cm³
• LogP: 3.71480
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)N

Technology Process of 3,9-Diaminoacridine

There total 11 articles about 3,9-Diaminoacridine 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: 38.0%

3-nitro-9-aminoacridine (14252-03-0) → 3,9-diamino-acridine (951-80-4)

Guidance literature:

With palladium/alumina; ammonium formate; In methanol; ethyl acetate; at 20 ℃; Inert atmosphere;

Reference yield:

9-chloro-3-nitroacridine (1744-91-8) → 3,9-diamino-acridine (951-80-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 120 °C

2: FeSO₄; CaCO₃; H₂O

With water; iron(II) sulfate; calcium carbonate;

Reference yield:

2-chloro-4-nitrobenzoic acid (99-60-5) → 3,9-diamino-acridine (951-80-4)

Guidance literature:

Multi-step reaction with 4 steps

1: copper; amyl alcohol; potassium carbonate

2: phosphoryl chloride

3: 120 °C

4: FeSO₄; CaCO₃; H₂O

With pentan-1-ol; water; copper; potassium carbonate; iron(II) sulfate; calcium carbonate; trichlorophosphate;

upstream raw materials:

3-amino-9-chloroacridine

3-nitro-9-aminoacridine

ammonia

hydrogenchloride

Downstream raw materials:

9-amino-3-azidoacridine

Refernces