Resorufin butyrate

Base Information

• Chemical Name: Resorufin butyrate
• CAS No.: 15585-42-9
• Molecular Formula: C16H13 N O4
• Molecular Weight: 283.284
• DSSTox Substance ID: DTXSID80407477
• Wikidata: Q82212745
• Mol file: 15585-42-9.mol

Synonyms:Resorufin butyrate;15585-42-9;(7-oxophenoxazin-3-yl) Butanoate;Butanoic acid, 3-oxo-3H-phenoxazin-7-yl ester;SCHEMBL12189748;DTXSID80407477;3-oxo-3H-phenoxazin-7-yl butyrate;MFCD00037660;HY-116583;3-OXO-3H-PHENOXAZIN-7-YL BUTANOATE;CS-0065962;FT-0769165;J-009239;Resorufin butyrate, suitable for fluorescence, >=95% (TLC)

Chemical Property of Resorufin butyrate

Chemical Property:

• Vapor Pressure: 1.48E-07mmHg at 25°C
• Melting Point: 136-138 °C(lit.)
• Refractive Index: 1.62
• Boiling Point: 428.7°C at 760 mmHg
• PKA: 1.03±0.20(Predicted)
• Flash Point: 194.5°C
• PSA: 69.40000
• Density: 1.31g/cm³
• LogP: 2.99830
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.08445790
• Heavy Atom Count: 21
• Complexity: 547

Purity/Quality:

98%Min ^*data from raw suppliers

Resorufin butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
• Uses: Resorufin Butyrate is a choline esterase and lipase fluorogenic substrate.

Technology Process of Resorufin butyrate

There total 1 articles about Resorufin butyrate 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:

resorufin (635-78-9) + butyryl chloride (141-75-3) → 7-hydroxyresorufinyl butyrate (15585-42-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.3390/molecules24122241

Reference yield:

7-hydroxyresorufinyl butyrate (15585-42-9) → resorufin (635-78-9)

Guidance literature:

With C₂₇H₂₇NO₆; recombinant Ag₈₅c from Mycobacterium tuberculosis; In aq. buffer; at 37 ℃; for 6h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1021/jacs.0c07700

Reference yield:

7-hydroxyresorufinyl butyrate (15585-42-9) + N-(2-(4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methylphenoxy)ethyl)-5-(1-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy) tetrahydro-2H-pyran-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pentanamide → C45H54N4O16

Guidance literature:

With recombinant Ag₈₅c from Mycobacterium tuberculosis; In aq. buffer; at 37 ℃; for 6h; Enzymatic reaction;

DOI:10.1021/jacs.0c07700

upstream raw materials:

resorufin

butyryl chloride

Downstream raw materials:

resorufin

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