1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol

Base Information

• Chemical Name: 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol
• CAS No.: 6035-39-8
• Molecular Formula: C₂₂H₂₈N₄O₅
• Molecular Weight: 428.488
• UNII: 75T5ASD975
• DSSTox Substance ID: DTXSID20975761
• Nikkaji Number: J10.637B
• Wikidata: Q27266406
• ChEMBL ID: CHEMBL529691
• Mol file: 6035-39-8.mol

Synonyms:1-(diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol;L-280401;L280,401;L280401;nitroacridine 3582;nitroacridine 3582 dihydrochloride;nitroacridine-3582;nitroakridin-3582

Chemical Property of 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol

Chemical Property:

• Vapor Pressure: 1.26E-17mmHg at 25°C
• Melting Point: 168-169°
• Boiling Point: 647.1°C at 760 mmHg
• PKA: 14.03±0.20(Predicted)
• Flash Point: 345.1°C
• PSA: 112.67000
• Density: 1.281g/cm³
• LogP: 4.02420
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 428.20597001
• Heavy Atom Count: 31
• Complexity: 573

Purity/Quality:

95% ^*data from raw suppliers

NITROAKRIDIN 3582 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O

Technology Process of 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol

There total 4 articles about 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol 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:

2,3-dimethoxy-9-chloro-6-nitroacridine (6628-92-8) + 1-amino-3-diethylamino-propan-2-ol (6322-01-6) → 1-diethylamino-3-(2,3-dimethoxy-6-nitro-acridin-9-ylamino)-propan-2-ol (6035-39-8)

Guidance literature:

With phenol; at 85 - 90 ℃;

DOI:10.1021/jo01164a019

Reference yield:

2-chloro-4-nitrobenzoic acid (99-60-5) → 1-diethylamino-3-(2,3-dimethoxy-6-nitro-acridin-9-ylamino)-propan-2-ol (6035-39-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; copper; amyl alcohol

2: phosphoryl chloride

3: phenol / 85 - 90 °C

With pentan-1-ol; copper; potassium carbonate; trichlorophosphate; phenol;

DOI:10.1021/jo01164a019

Reference yield:

2-(3,4-dimethoxy-anilino)-4-nitro-benzoic acid (7159-41-3) → 1-diethylamino-3-(2,3-dimethoxy-6-nitro-acridin-9-ylamino)-propan-2-ol (6035-39-8)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphoryl chloride

2: phenol / 85 - 90 °C

With trichlorophosphate; phenol;

DOI:10.1021/jo01164a019

upstream raw materials:

2,3-dimethoxy-9-chloro-6-nitroacridine

1-amino-3-diethylamino-propan-2-ol

2-chloro-4-nitrobenzoic acid

2-(3,4-dimethoxy-anilino)-4-nitro-benzoic acid