1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile

Base Information

• Chemical Name: 1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
• CAS No.: 85460-34-0
• Molecular Formula: C20H14N4S
• Molecular Weight: 0
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID60396714
• Mol file: 85460-34-0.mol

Synonyms:4-Amino-2-p-tolyl-2H-9-thia-4a-aza-fluorene-1,3-dicarbonitrile;85460-34-0;1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile;ST085776;DTXSID60396714;AKOS000122128;CS-0305232;EN300-02853;1-Amino-3-(p-tolyl)-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile;13-amino-11-(4-methylphenyl)-8-thia-1-azatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,9,12-pentaene-10,12-dicarbonitrile

Chemical Property of 1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile

Chemical Property:

• Vapor Pressure: 1.64E-13mmHg at 25°C
• Boiling Point: 581.5°C at 760 mmHg
• Flash Point: 305.5°C
• PSA: 106.77000
• Density: 1.42g/cm³
• LogP: 4.11516
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 342.09391764
• Heavy Atom Count: 25
• Complexity: 725

Purity/Quality:

99% ^*data from raw suppliers

4-AMINO-2-P-TOLYL-2H-9-THIA-4A-AZA-FLUORENE-1,3-DICARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N

Technology Process of 1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile

There total 11 articles about 1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile 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: 73.0%

2-(benzothiazol-2-yl)-3-(4-methylphenyl)acrylonitrile (85460-27-1) + malononitrile (109-77-3) → 1-Amino-3-(4-methylphenyl)-3H-pyrido<2,1-b>benzothiazol-2,4-dicarbonitrile (85460-34-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 5h; Heating;

DOI:10.1055/s-1983-30284

Reference yield: 64.0%

2-cyanomethylbenzothiazole (56278-50-3) + 2-(4-methylbenzylidene)malononitrile (2826-25-7) → 1-Amino-3-(4-methylphenyl)-3H-pyrido<2,1-b>benzothiazol-2,4-dicarbonitrile (85460-34-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 5h; Heating;

DOI:10.1055/s-1983-30284

Reference yield:

2-cyanomethylbenzothiazole (56278-50-3) → 1-Amino-3-(4-methylphenyl)-3H-pyrido<2,1-b>benzothiazol-2,4-dicarbonitrile (85460-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / Et₃N / ethanol / 1 h / Ambient temperature

2: piperidine / ethanol / 6 h / Heating

With piperidine; triethylamine; In ethanol;

DOI:10.1002/ardp.19883210903

upstream raw materials:

2-cyanomethylbenzothiazole

2-(4-methylbenzylidene)malononitrile

p-tolylmethylenecyanothioacetamide

2-cyano-3-(p-tolyl)acrylamide