Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-

Base Information

• Chemical Name: Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-
• CAS No.: 13796-22-0
• Molecular Formula: C22H18 N2 O2
• Molecular Weight: 342.397
• European Community (EC) Number: 237-452-5
• DSSTox Substance ID: DTXSID6065638
• Nikkaji Number: J29.759C
• Wikidata: Q81992298
• Mol file: 13796-22-0.mol

Synonyms:13796-22-0;Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-;EINECS 237-452-5;Quinacridone, 6,13-dihydro-2,9-dimethyl-;2,9-dimethyl-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione;5,6,12,13-Tetrahydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione;5,6,12,13-Tetrahydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione;Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-;DTXSID6065638;SCHEMBL13080504;Quino[2,3-b]acridine-7,14-dione,5,6,12,13-tetrahydro-2,9-dimethyl-

Chemical Property of Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-

Chemical Property:

• Vapor Pressure: 7.81E-14mmHg at 25°C
• Boiling Point: 588.6°Cat760mmHg
• Flash Point: 213°C
• PSA: 65.72000
• Density: 1.36g/cm³
• LogP: 3.48140
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 342.136827821
• Heavy Atom Count: 26
• Complexity: 672

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC3=C(C2=O)CC4=C(C3)C(=O)C5=C(N4)C=CC(=C5)C

Technology Process of Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-

There total 4 articles about Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl- 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: 85.0%

p-toluidine (106-49-0,12221-03-3) + Dimethyl succinate (106-65-0) → 2,9-dimethyl-6,13-dihydroquinacridone (13796-22-0)

Guidance literature:

Dimethyl succinate; With sodium methylate; at 20 - 125 ℃; for 7.16667h;

p-toluidine; With phosphoric acid; sulfuric acid; In 2-methyl-propan-1-ol; at 70 - 100 ℃; for 4h;

With PPA; at 130 ℃; for 1.5h; Product distribution / selectivity;

Reference yield: 83.0%

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate (6289-46-9) + p-toluidine (106-49-0,12221-03-3) → 2,9-dimethyl-6,13-dihydroquinacridone (13796-22-0)

Guidance literature:

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate; p-toluidine; With phosphoric acid; In 2-methyl-propan-1-ol; at 20 - 100 ℃; for 4h;

at 280 ℃; for 1.5h; Product distribution / selectivity;

Reference yield:

2,5-di-p-toluidino-cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester (4898-57-1) → 2,9-dimethyl-6,13-dihydroquinacridone (13796-22-0)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

2,5-di-p-toluidino-cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

p-toluidine

Dimethyl succinate

Downstream raw materials:

C_.I_. Pigment Red 122