2-(11-Hydroxy-3-oxo-3H-dibenzo[C,H]xanthen-7-YL)benzoic acid

Base Information

• Chemical Name: 2-(11-Hydroxy-3-oxo-3H-dibenzo[C,H]xanthen-7-YL)benzoic acid
• CAS No.: 51517-45-4
• Deprecated CAS: 51517-45-4
• Molecular Formula: C28H16O5
• Molecular Weight: 432.432
• Hs Code.: 2932999099
• European Community (EC) Number: 257-250-0
• DSSTox Substance ID: DTXSID6068646
• Nikkaji Number: J261.745E
• Wikidata: Q81995413
• ChEMBL ID: CHEMBL4535743
• Mol file: 51517-45-4.mol

Synonyms:51517-45-4;2-(11-HYDROXY-3-OXO-3H-DIBENZO[C,H]XANTHEN-7-YL)BENZOIC ACID;EINECS 257-250-0;UC-773587;Benzoic acid, 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-;116679-69-7;2-(11-Hydroxy-3-oxo-3H-dibenzo(c,h)xanthen-7-yl)benzoic acid;2-(11-HYDROXY-3-OXO-3H-DIBENZO[C,H]XANTHEN-7-YL)BENZOICACID;Benzoic acid, 2-(11-hydroxy-3-oxo-3H-dibenzo(c,h)xanthen-7-yl)-;2-(7-hydroxy-19-oxo-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,7,10,13,15,17,20-decaen-13-yl)benzoic acid;CHEMBL4535743;DTXSID6068646;SCHEMBL10059473;AKOS000814315;FT-0701430;F88022

Chemical Property of 2-(11-Hydroxy-3-oxo-3H-dibenzo[C,H]xanthen-7-YL)benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 820.767°C at 760 mmHg
• Flash Point: 288.268°C
• PSA: 87.74000
• Density: 1.536g/cm³
• LogP: 6.32340
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 432.09977361
• Heavy Atom Count: 33
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

2-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=C3C=CC4=CC(=O)C=CC4=C3OC5=C2C=CC6=C5C=CC(=C6)O)C(=O)O

Technology Process of 2-(11-Hydroxy-3-oxo-3H-dibenzo[C,H]xanthen-7-YL)benzoic acid

There total 9 articles about 2-(11-Hydroxy-3-oxo-3H-dibenzo[C,H]xanthen-7-YL)benzoic acid 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: 30.0%

phthalic anhydride (85-44-9) + 1,6-dihydroxynaphthalene (575-44-0) → 3,11-dihydroxy-3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (51517-45-4)

Guidance literature:

With methanesulfonic acid; at 135 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.bmcl.2008.08.035

Reference yield:

C42H28O9S2 (874657-97-3) → 3,11-dihydroxy-3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (51517-45-4)

Guidance literature:

With dihydrogen peroxide; In various solvent(s); at 37 ℃; pH=7.4;

DOI:10.1039/b512440a

Reference yield:

C44H14F34O9S2 → 3,11-dihydroxy-3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (51517-45-4)

Guidance literature:

With dihydrogen peroxide; In various solvent(s); at 37 ℃; pH=7.4;

DOI:10.1039/b512440a

upstream raw materials:

C₄₂H₂₈O₉S₂

phthalic anhydride

1,6-dihydroxynaphthalene

naphthofluorescein

Downstream raw materials:

methyl 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)benzoate