7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-

Base Information

• Chemical Name: 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
• CAS No.: 52372-39-1
• Molecular Formula: C23H19N5O
• Molecular Weight: 381.437
• European Community (EC) Number: 257-885-3
• UNII: 34HKH79XFH
• DSSTox Substance ID: DTXSID3068750
• Nikkaji Number: J29.757G
• Wikidata: Q72508428
• Mol file: 52372-39-1.mol

Synonyms:Solvent Red 197;52372-39-1;7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-;C.I. Solvent red 197;3-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a]chromeno[3,2-c]pyridine-6-carbonitrile;C23H19N5O;EINECS 257-885-3;3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile;17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile;7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-;3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile;7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-;7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-;(7e)-3-(diethylamino)-7-imino-7h-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile;Dyes, Solvent Red 197;C.I. Fluoreescent Red GK;34HKH79XFH;SCHEMBL2390884;DTXSID3068750;MFCD02176212;STK976909;AKOS004090572;chromeno[3,2-c]pyridine-6-carbonitrile;CS-0010663;S0919;T72568;W-111045;3-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a];3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile;(7e)-3-(diethylamino)-7-imino-7h-chromeno[3\',2\':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile;7H-[1]Benzopyrano[3',2':3, 4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-

Chemical Property of 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-

Chemical Property:

• Appearance/Colour: Bright red powder
• Vapor Pressure: 1.77E-12mmHg at 25°C
• Refractive Index: 1.713
• Boiling Point: 557.8 °C at 760 mmHg
• PKA: 5.35±0.40(Predicted)
• Flash Point: 291.2 °C
• PSA: 81.32000
• Density: 1.33 g/cm³
• LogP: 4.68398
• Water Solubility.: 11-35970μg/L at 20-25℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 381.15896025
• Heavy Atom Count: 29
• Complexity: 803

Purity/Quality:

99% ^*data from raw suppliers

Solvent Red 197 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

Technology Process of 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-

There total 5 articles about 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino- 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:

3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-imine-2H-1-benzopyran-7-amine (17754-91-5) + malononitrile (109-77-3) → 3-diethylamino-7-imino-7H-chromeno[3',2'-3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile (52372-39-1)

Guidance literature:

In 2-ethoxy-ethanol; at 180 ℃; for 6h;

Reference yield:

C20H21N3O + malononitrile (109-77-3) → 3-diethylamino-7-imino-7H-chromeno[3',2'-3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile (52372-39-1)

Guidance literature:

for 5h; Reflux;

DOI:10.1016/j.saa.2019.117391

Reference yield:

4-(Diethylamino)salicylaldehyde (17754-90-4) → 3-diethylamino-7-imino-7H-chromeno[3',2'-3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile (52372-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / ethanol / 24 h / 25 °C

2: 5 h / Reflux

With pyridine; In ethanol;

DOI:10.1016/j.saa.2019.117391

upstream raw materials:

3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-imine-2H-1-benzopyran-7-amine

malononitrile

4-(Diethylamino)salicylaldehyde

2-Aminomethylbenzimidazole

Downstream raw materials:

3-diethylamino-7-oxo-7H-chromeno[3',2'-3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile

4-({6-cyano-3-(diethylamino)-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazol-7-ylidene}amino)sulfonyl benzoic acid

Refernces

• 1、 Ibrayev, N. Kh.,Seliverstova,Alekseeva,Marinina,Savvina. "Preparation and photophysical properties of thin films of coumarin dyes". . p. 1234 - 1238. Retrieved 2013/07/19.
• 2、 -. "Articles Comprising Benzopyran Colorants, Method Of Manufacture, And Method Of Use". Page/Page column 7. . Retrieved 2008/06/13.