1,2,3,4-Tetrahydroacridine-9-carbonitrile

Base Information

• Chemical Name: 1,2,3,4-Tetrahydroacridine-9-carbonitrile
• CAS No.: 202657-86-1
• Molecular Formula: C₁₄H₁₂N₂
• Molecular Weight: 208.263
• DSSTox Substance ID: DTXSID60362873
• Wikidata: Q82146365
• Mol file: 202657-86-1.mol

Synonyms:1,2,3,4-tetrahydroacridine-9-carbonitrile;202657-86-1;DTXSID60362873;CIA65786;STK776286;AKOS001744563;1,2,3,4-Tetrahydro-9-acridinecarbonitrile;CS-0333676;FT-0758922

Chemical Property of 1,2,3,4-Tetrahydroacridine-9-carbonitrile

Chemical Property:

• Vapor Pressure: 8.08E-05mmHg at 25°C
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

98.5% ^*data from raw suppliers

1,2,3,4-Tetrahydroacridine-9-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)C#N

Technology Process of 1,2,3,4-Tetrahydroacridine-9-carbonitrile

There total 1 articles about 1,2,3,4-Tetrahydroacridine-9-carbonitrile 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: 87.0%

1,2,3,4-tetrahydro-acridine-9-carboxylic acid amide (42878-53-5) → 9-cyano-1,2,3,4-tetrahydroacridine (202657-86-1)

Guidance literature:

With trichlorophosphate; Heating;

DOI:10.1002/jhet.5570340604

Reference yield:

9-cyano-1,2,3,4-tetrahydroacridine (202657-86-1) → 9-N-acetyl-N-benzylaminomethyl-1,2,3,4-tetrahydroacridine (202657-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / H₂ / Raney nickel / tetrahydrofuran / 4 h / 40 °C / 3040 Torr

2: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, RT, 4 h

With hydrogen; sodium hydride; nickel; In tetrahydrofuran;

DOI:10.1002/jhet.5570340604

Reference yield:

9-cyano-1,2,3,4-tetrahydroacridine (202657-86-1) → 9-benzylaminomethyl-1,2,3,4-tetrahydroacridine

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / H₂ / Raney nickel / tetrahydrofuran / 4 h / 40 °C / 3040 Torr

2: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, RT, 4 h

3: 89 percent / 15percent aq. H₂SO₄ / 6 h / Heating

With sulfuric acid; hydrogen; sodium hydride; nickel; In tetrahydrofuran;

DOI:10.1002/jhet.5570340604

upstream raw materials:

1,2,3,4-tetrahydro-acridine-9-carboxylic acid amide

Downstream raw materials:

9-N-acetyl-N-benzylaminomethyl-1,2,3,4-tetrahydroacridine

Refernces