Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-

Base Information

• Chemical Name: Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-
• CAS No.: 26628-47-7
• Deprecated CAS: 52636-82-5,59141-18-3,142107-22-0,93051-35-5
• Molecular Formula: C28H23 N O3
• Molecular Weight: 421.496
• Hs Code.: 2932999099
• European Community (EC) Number: 247-853-7
• UNII: 53LNR505Q7
• DSSTox Substance ID: DTXSID10885365
• Nikkaji Number: J248.983J
• Wikidata: Q27261120
• Mol file: 26628-47-7.mol

Synonyms:26628-47-7;6'-(Diethylamino)-1',2'-benzofluoran;Fluoran Red;Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-;6-Diethylamino-1,2-benzofluoran;3-Diethylaminobenzo(a)fluoran;C28H23NO3;53LNR505Q7;9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one;EINECS 247-853-7;6-(DIETHYLAMINO)-1,2-BENZOFLUORAN;9-(Diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one;Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(diethylamino)-;9-(diethylamino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one;9-(Diethylamino)spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one;Spiro(isobenzofuran-1(3H), 12'-(12H)benzo(a)xanthene)-9'-diethylamino-3-one;9'-(diethylamino)-3h-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one;SCHEMBL225586;UNII-53LNR505Q7;DTXSID10885365;MFCD00480357;STK524835;AKOS005458469;1,2-BENZO-6-DIETHYLAMINOFLUORANE;AS-73549;3-(DIETHYLAMINO)-7,8-BENZOFLUORAN;CS-0318232;D3203;D90155;3-DIETHYLAMINO-7,8-BENZO(.ALPHA.)FLUORAN;Q27261120;8'-(diethylamino)-3H-10'-oxaspiro[2-benzofuran-1,5'-tetraphen]-3-one;9-(diethylamino)-Spiro[12H-benzo[a]xanthene-12 pound not1'(3'H)-isobenzofuran]-3'-one;9-(diethylamino)-Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one

Chemical Property of Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-

Chemical Property:

• Melting Point: 221oC
• Boiling Point: 642.4°Cat760mmHg
• PKA: 5.05±0.20(Predicted)
• Flash Point: 342.3°C
• PSA: 38.77000
• Density: 1.32g/cm³
• LogP: 6.25400
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 421.16779360
• Heavy Atom Count: 32
• Complexity: 707

Purity/Quality:

99% ^*data from raw suppliers

9''-(Diethylamino)spiro[2-benzofuran-3,12''-benzo[a]xanthene]-1-one ^*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)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65

Technology Process of Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-

There total 23 articles about Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)- 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: 88.0%

2'-Carboxy-4-diethylamino-2-hydroxybenzophenon (5809-23-4) + β-naphthol (135-19-3) → 9-(diethylamino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one (26628-47-7,52636-82-5)

Guidance literature:

With sulfuric acid; In water; at 100 - 110 ℃; for 6h;

DOI:10.1016/j.saa.2016.07.002

Reference yield: 69.0%

9'-diethylamino-3'-bromobenzo[a]fluoran (1330557-39-5) + 3-hydroxyphenylboronic acid (87199-18-6) → 9'-diethylamino-3'-(3-hydroxyphenyl)benzo[a]fluoran (1353573-04-2) + 9-(diethylamino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one (26628-47-7,52636-82-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; for 22h; Reflux; Inert atmosphere;

DOI:10.1039/c1cc15854f

Reference yield: 58.0%

9'-diethylamino-2'-bromobenzo[a]fluoran (1353572-99-2) + 3-hydroxyphenylboronic acid (87199-18-6) → 9'-diethylamino-2'-(3-hydroxyphenyl)benzo[a]fluoran (1353573-07-5) + 9-(diethylamino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one (26628-47-7,52636-82-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; for 22h; Reflux; Inert atmosphere;

DOI:10.1039/c1cc15854f

upstream raw materials:

2'-Carboxy-4-diethylamino-2-hydroxybenzophenon

β-naphthol

phthalic anhydride

9'-diethylamino-3'-bromobenzo[a]fluoran

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