Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-

Base Information

• Chemical Name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-
• CAS No.: 27402-68-2
• Deprecated CAS: 887407-12-7
• Molecular Formula: C20H11 N O7
• Molecular Weight: 377.31
• Hs Code.: 29329990
• European Community (EC) Number: 631-094-7
• DSSTox Substance ID: DTXSID4067307
• Nikkaji Number: J236.732G
• Wikidata: Q81993884
• Mol file: 27402-68-2.mol

Synonyms:27402-68-2;6-Nitrofluorescein;Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-;3',6'-Dihydroxy-6-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one;3',6'-dihydroxy-5-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one;Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-6-nitro-;3',6'-dihydroxy-6-nitro-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one;SCHEMBL3707886;6-Nitrofluorescein (isomer II);DTXSID4067307;GYWGQAIDMYGOLU-UHFFFAOYSA-;MFCD00059694;AS-57044;FT-0638701;N0445;T72210;A819048;6-Nitro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-(9H)xanthen]-3-one

Chemical Property of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-

Chemical Property:

• Vapor Pressure: 2.03E-20mmHg at 25°C
• Boiling Point: 703°C at 760 mmHg
• Flash Point: 379°C
• PSA: 121.81000
• Density: 1.72g/cm³
• LogP: 4.09720
• Solubility.: Acetone, Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 377.05355169
• Heavy Atom Count: 28
• Complexity: 637

Purity/Quality:

97% ^*data from raw suppliers

Nitrofluorescein, isomer 2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
• Uses: Fluorescent labeling reagent for proteins, 6-Nitrofluorescein can be used in the fluorescent antibody technique for rapid identification of pathogens. Fluorescent labeling reagent for proteins. Used in the fluorescent antibody technique for rapid identification of pathogens.

Technology Process of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro-

There total 6 articles about Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-6-nitro- 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:

4-nitrophthalic acid (610-27-5) + recorcinol (108-46-3) → 4'-nitrofluorescein (27402-68-2) + 3',6'-dihydroxy-5-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one (3326-35-0)

Guidance literature:

With methanesulfonic acid; at 20 - 100 ℃; Inert atmosphere;

Reference yield:

4-nitrophthalic anhydride (5466-84-2) + recorcinol (108-46-3) → 4'-nitrofluorescein (27402-68-2) + 3',6'-dihydroxy-5-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one (3326-35-0)

Guidance literature:

at 200 ℃;

DOI:10.1084/jem.91.1.1

Reference yield:

4-nitrophthalic acid (610-27-5) → 4'-nitrofluorescein (27402-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 200 °C

1.2: 2 h / Reflux

2.1: sodium hydroxide / methanol / Heating

With sodium hydroxide; In methanol;

DOI:10.1021/ml300191g

upstream raw materials:

4-nitrophthalic anhydride

recorcinol

4-nitrophthalic acid

3',6'-bis(acetyloxy)-4-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Downstream raw materials:

6'-amino-3,6-dihydroxyspiro-3'-one

fluorescein-5-isothiocyanate

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