1,4-Bis(2,3-dihydroxypropylamino)anthraquinone

Base Information

• Chemical Name: 1,4-Bis(2,3-dihydroxypropylamino)anthraquinone
• CAS No.: 99788-75-7
• Molecular Formula: C₂₀H₂₂N₂O₆
• Molecular Weight: 386.404
• European Community (EC) Number: 421-470-7
• NSC Number: 673351
• UNII: UVQ553995F
• DSSTox Substance ID: DTXSID40879813
• Wikidata: Q27291296
• ChEMBL ID: CHEMBL1969767
• Mol file: 99788-75-7.mol

Synonyms:1,4-bis(2,3-dihydroxypropylamino)anthraquinone;99788-75-7;HC Blue no. 14;HC Blue 14;Imexine BJ;UVQ553995F;Bis-dihydroxypropylamino anthraquinone;UNII-UVQ553995F;1,4-bis(2,3-dihydroxypropylamino)anthracene-9,10-dione;9,10-Anthracenedione, 1,4-bis((2,3-dihydroxypropyl)amino)-;EC 421-470-7;NSC673351;SCHEMBL125775;CHEMBL1969767;DTXSID40879813;HC BLUE NO. 14 [INCI];NSC-673351;NCI60_025985;FT-0696989;Q27291296

Chemical Property of 1,4-Bis(2,3-dihydroxypropylamino)anthraquinone

Chemical Property:

• Vapor Pressure: 3.94E-24mmHg at 25°C
• Refractive Index: 1.737
• Boiling Point: 757.7°C at 760 mmHg
• Flash Point: 412.1°C
• PSA: 139.12000
• Density: 1.516g/cm³
• LogP: 0.13820
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 386.14778643
• Heavy Atom Count: 28
• Complexity: 511

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CO)O)NCC(CO)O

Technology Process of 1,4-Bis(2,3-dihydroxypropylamino)anthraquinone

There total 4 articles about 1,4-Bis(2,3-dihydroxypropylamino)anthraquinone 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: 58.0%

1,4-Bis-(2,3-epoxypropylamino)-9,10-anthracenedione (78146-26-6) → 1,4-bis(2,3-dihydroxypropylamino)-9,10-anthracenedione (99788-75-7)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 6h; Heating;

DOI:10.1016/S0968-0896(97)00097-7

Reference yield:

1,4-diamino-9,10-anthraquinone (128-95-0) → 1,4-bis(2,3-dihydroxypropylamino)-9,10-anthracenedione (99788-75-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / HOAc / 0.5 h / 90 °C

2: 90 percent / NaOH / methanol / 4 h / Ambient temperature

3: 58 percent / aq. p-TSA / methanol / 6 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; acetic acid; In methanol;

DOI:10.1016/S0968-0896(97)00097-7

Reference yield:

1,4-bis<(3-chloro-2-hydroxypropyl)amino>-9,10-anthracenedione (29311-94-2) → 1,4-bis(2,3-dihydroxypropylamino)-9,10-anthracenedione (99788-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NaOH / methanol / 4 h / Ambient temperature

2: 58 percent / aq. p-TSA / methanol / 6 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; In methanol;

DOI:10.1016/S0968-0896(97)00097-7

upstream raw materials:

1,4-Bis-(2,3-epoxypropylamino)-9,10-anthracenedione

1,4-diamino-9,10-anthraquinone

1,4-bis<(3-chloro-2-hydroxypropyl)amino>-9,10-anthracenedione

Refernces

• 1、 -. "METHOD OF COLORING OR LIGHTENING IN THE PRESENCE OF AN INORGANIC BASE AND KIT". . . Retrieved 2010/07/04.
• 2、 -. "PROCESS FOR LIGHTENING OR PROCESS FOR DIRECT DYEING OR OXIDATION DYEING OF KERATIN FIBERS IN THE PRESENCE OF AT LEAST ONE AMMONIUM SALT AND DEVICE THEREFOR". . . Retrieved 2010/08/03.