9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-

Base Information

Chemical Name:9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-
CAS No.:86456-21-5
Molecular Formula:C27H30N2O6S
Molecular Weight:510.6019
Hs Code.:
NSC Number:355187
UNII:ER87UK6YVX
DSSTox Substance ID:DTXSID10235568
Wikidata:Q83117450

Synonyms:86456-21-5;NSC355187;9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-;NSC 355187;NSC-355187;9H-Xanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-;ER87UK6YVX;SCHEMBL3840633;DTXSID10235568;[8-(2-diethylaminoethylamino)-5-(hydroxymethyl)-9-oxo-xanthen-2-yl] 4-methylbenzenesulfonate;1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-9h-xanthen-9-one;8-{[2-(DIETHYLAMINO)ETHYL]AMINO}-5-(HYDROXYMETHYL)-9-OXO-9H-XANTHEN-2-YL 4-METHYLBENZENE-1-SULFONATE

Suppliers and Price of 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-

Chemical Property:

Vapor Pressure:1.29E-21mmHg at 25°C
Boiling Point:717.6°C at 760 mmHg
Flash Point:387.8°C
Density:1.32g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:510.18245785
Heavy Atom Count:36
Complexity:821

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Technology Process of 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-

There total 6 articles about 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)- 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: 60.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 86456-19-1
1-<<2-(diethylamino)ethyl>amino>-7-(toluenesulfonyloxy)-9H-xanthen-9-one

: 86456-21-5
1-<<2-(diethylamino)ethyl>amino>-7-(toluenesulfonyloxy)-4-(hydroxymethyl)-9H-xanthen-9-one

Guidance literature:: With acetic acid; at 70 ℃; for 72h;
DOI:10.1021/jm00363a007

Reference yield:

: 625-99-0
3-iodochlorobenzene

: 86456-21-5
1-<<2-(diethylamino)ethyl>amino>-7-(toluenesulfonyloxy)-4-(hydroxymethyl)-9H-xanthen-9-one

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) K₂CO₃, 2.) Cu, CuI / 1.) DMF, 120 deg C, 10 min, 2.) DMF, reflux, 50 h

2: 1.) 50percent polyphosphoric acid, 2.) pyridine / 1.) 120 deg C, 3 h, 2.) reflux, 16 h

3: 86 percent / 56percent HI / 4 h / Heating

4: 85 percent / pyridine / 1.5 h / 50 °C

5: 60 percent / 5 N aq. acetic acid / 72 h / 70 °C

With pyridine; copper(l) iodide; PPA; hydrogen iodide; copper; potassium carbonate; acetic acid;
DOI:10.1021/jm00363a007

Reference yield:

: 2612-02-4
5-methoxysalicylic acid

: 86456-21-5
1-<<2-(diethylamino)ethyl>amino>-7-(toluenesulfonyloxy)-4-(hydroxymethyl)-9H-xanthen-9-one

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) K₂CO₃, 2.) Cu, CuI / 1.) DMF, 120 deg C, 10 min, 2.) DMF, reflux, 50 h

2: 1.) 50percent polyphosphoric acid, 2.) pyridine / 1.) 120 deg C, 3 h, 2.) reflux, 16 h

3: 86 percent / 56percent HI / 4 h / Heating

4: 85 percent / pyridine / 1.5 h / 50 °C

5: 60 percent / 5 N aq. acetic acid / 72 h / 70 °C

With pyridine; copper(l) iodide; PPA; hydrogen iodide; copper; potassium carbonate; acetic acid;
DOI:10.1021/jm00363a007