94-44-0,MFCD00023584
Catalog No.:AA00GR51

94-44-0 | Benzyl nicotinate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$7.00   $5.00
- +
100g
97%
in stock  
$53.00   $37.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GR51
Chemical Name:
Benzyl nicotinate
CAS Number:
94-44-0
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00023584
SMILES:
O=C(c1cccnc1)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:JP5804472,2015,B2,.Locationinpatent:Paragraph0054;0055;0056

[2]JournalofOrganicChemistry,2003,vol.68,#7,p.2812-2819

[3]ChemicalCommunications,2012,vol.48,#76,p.9465-9467

[4]EuropeanJournalofOrganicChemistry,2013,#2,p.326-331

[5]OrganicLetters,2008,vol.10,#11,p.2187-2190

[1]SyntheticCommunications,1984,vol.14,#6,p.515-520

[2]Synlett,2004,#2,p.263-266

[3]Patent:DE946541,1952,,

[4]Patent:DE952714,1951,,

[1]OrganicLetters,2011,vol.13,#23,p.6232-6235

[1]AdvancedSynthesisandCatalysis,2003,vol.345,#8,p.943-947

[1]JournalofOrganicChemistry,2007,vol.72,#23,p.8962-8964

[2]Synlett,2010,#6,p.841-851

Downstream Synthesis Route

[1]CurrentPatentAssignee:TOKAINATIONALHIGHEREDUCATIONANDRESEARCHSYSTEM-JP5804472,2015,B2Locationinpatent:Paragraph0054;0055;0056

[2]Grasa,GabrielaA.;Gueveli,Tatyana;Singh,Rohit;Nolan,StevenP.[JournalofOrganicChemistry,2003,vol.68,#7,p.2812-2819]

[3]Hatano,Manabu;Kamiya,Sho;Ishihara,Kazuaki[ChemicalCommunications,2012,vol.48,#76,p.9465-9467]

[4]Chiarotto,Isabella;Feroci,Marta;Sotgiu,Giovanni;Inesi,Achille[EuropeanJournalofOrganicChemistry,2013,#2,p.326-331]

[5]Ishihara,Kazuaki;Niwa,Masatoshi;Kosugi,Yuji[OrganicLetters,2008,vol.10,#11,p.2187-2190]

Literature

Title: Current State-of-Art and New Trends on Lipid Nanoparticles (SLN and NLC) for Oral Drug Delivery.

Journal: Journal of drug delivery 20120101

Title: Rhodium-catalyzed enantioselective addition of boronic acids to N-benzylnicotinate salts.

Journal: Journal of the American Chemical Society 20110309

Title: Supplementation of flaxseed oil diminishes skin sensitivity and improves skin barrier function and condition.

Journal: Skin pharmacology and physiology 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Effect of a topical vasodilator on tumor hypoxia and tumor oxygen guided radiotherapy using EPR oximetry.

Journal: Radiation research 20100501

Title: Degradation kinetics of benzyl nicotinate in aqueous solution.

Journal: Indian journal of pharmaceutical sciences 20100101

Title: Enhancement of bioavailability by lowering of fat content in topical formulations.

Journal: The British journal of dermatology 20090301

Title: In situ permeation study of drug through the stratum corneum using attenuated total reflectance [corrected] Fourier transform infrared spectroscopic imaging.

Journal: Journal of biomedical optics 20090101

Title: Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging.

Journal: Journal of biomedical optics 20090101

Title: Amphiphilic poly{[alpha-maleic anhydride-omega-methoxy-poly(ethylene glycol)]-co-(ethyl cyanoacrylate)} graft copolymer nanoparticles as carriers for transdermal drug delivery.

Journal: International journal of nanomedicine 20090101

Title: Influence of nanosized delivery systems with benzyl nicotinate and penetration enhancers on skin oxygenation.

Journal: International journal of pharmaceutics 20080709

Title: Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition.

Journal: Biopharmaceutics & drug disposition 20080701

Title: Vascular disrupting action of electroporation and electrochemotherapy with bleomycin in murine sarcoma.

Journal: British journal of cancer 20080129

Title: Importance of solid lipid nanoparticles (SLN) in various administration routes and future perspectives.

Journal: International journal of nanomedicine 20070901

Title: Kinetics of blood flow after topical application of benzyl nicotinate on different anatomic sites.

Journal: Archives of dermatological research 20061101

Title: Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability.

Journal: Journal of medicinal chemistry 20060629

Title: In vivo study of liposomes as drug carriers to oral mucosa using EPR oximetry.

Journal: International journal of pharmaceutics 20060103

Title: Comparison of blood flow to the cutaneous temperature and redness after topical application of benzyl nicotinate.

Journal: Journal of biomedical optics 20060101

Title: In vivo study of different ointments for drug delivery into oral mucosa by EPR oximetry.

Journal: International journal of pharmaceutics 20040211

Title: Skin oxygenation after topical application of liposome-entrapped benzyl nicotinate as measured by EPR oximetry in vivo: influence of composition and size.

Journal: AAPS pharmSci 20030301

Title: Reduced blood flow and oxygenation in SA-1 tumours after electrochemotherapy with cisplatin.

Journal: British journal of cancer 20021021

Title: Improved skin oxygenation after benzyl nicotinate application in different carriers as measured by EPR oximetry in vivo.

Journal: Journal of controlled release : official journal of the Controlled Release Society 20010129

Quotation Request
Company Name:
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Additional Info:
SDS
Tags:94-44-0 Molecular Formula|94-44-0 MDL|94-44-0 SMILES|94-44-0 Benzyl nicotinate
Catalog No.: AA00GR51
94-44-0,MFCD00023584
94-44-0 | Benzyl nicotinate
Pack Size: 5g
Purity: 97%
in stock
$6.00 $4.00
Pack Size: 10g
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 100g
Purity: 97%
in stock
$53.00 $37.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GR51
Chemical Name: Benzyl nicotinate
CAS Number: 94-44-0
Molecular Formula: C13H11NO2
Molecular Weight: 213.2319
MDL Number: MFCD00023584
SMILES: O=C(c1cccnc1)OCc1ccccc1
Properties
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
93-60-7    100-51-6    94-44-0 

[1]Patent:JP5804472,2015,B2,.Locationinpatent:Paragraph0054;0055;0056

[2]JournalofOrganicChemistry,2003,vol.68,#7,p.2812-2819

[3]ChemicalCommunications,2012,vol.48,#76,p.9465-9467

[4]EuropeanJournalofOrganicChemistry,2013,#2,p.326-331

[5]OrganicLetters,2008,vol.10,#11,p.2187-2190

59-67-6    100-51-6    94-44-0 

[1]SyntheticCommunications,1984,vol.14,#6,p.515-520

[2]Synlett,2004,#2,p.263-266

[3]Patent:DE946541,1952,,

[4]Patent:DE952714,1951,,

1345837-77-5    94-44-0 

[1]OrganicLetters,2011,vol.13,#23,p.6232-6235

59-67-6    31139-36-3    94-44-0 

[1]AdvancedSynthesisandCatalysis,2003,vol.345,#8,p.943-947

59-67-6    94-44-0 

[1]JournalofOrganicChemistry,2007,vol.72,#23,p.8962-8964

[2]Synlett,2010,#6,p.841-851

Downstream Synthesis Route
93-60-7    100-51-6    94-44-0 

[1]CurrentPatentAssignee:TOKAINATIONALHIGHEREDUCATIONANDRESEARCHSYSTEM-JP5804472,2015,B2Locationinpatent:Paragraph0054;0055;0056

[2]Grasa,GabrielaA.;Gueveli,Tatyana;Singh,Rohit;Nolan,StevenP.[JournalofOrganicChemistry,2003,vol.68,#7,p.2812-2819]

[3]Hatano,Manabu;Kamiya,Sho;Ishihara,Kazuaki[ChemicalCommunications,2012,vol.48,#76,p.9465-9467]

[4]Chiarotto,Isabella;Feroci,Marta;Sotgiu,Giovanni;Inesi,Achille[EuropeanJournalofOrganicChemistry,2013,#2,p.326-331]

[5]Ishihara,Kazuaki;Niwa,Masatoshi;Kosugi,Yuji[OrganicLetters,2008,vol.10,#11,p.2187-2190]

Literature fold

Title: Current State-of-Art and New Trends on Lipid Nanoparticles (SLN and NLC) for Oral Drug Delivery.

Journal: Journal of drug delivery20120101

Title: Rhodium-catalyzed enantioselective addition of boronic acids to N-benzylnicotinate salts.

Journal: Journal of the American Chemical Society20110309

Title: Supplementation of flaxseed oil diminishes skin sensitivity and improves skin barrier function and condition.

Journal: Skin pharmacology and physiology20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Effect of a topical vasodilator on tumor hypoxia and tumor oxygen guided radiotherapy using EPR oximetry.

Journal: Radiation research20100501

Title: Degradation kinetics of benzyl nicotinate in aqueous solution.

Journal: Indian journal of pharmaceutical sciences20100101

Title: Enhancement of bioavailability by lowering of fat content in topical formulations.

Journal: The British journal of dermatology20090301

Title: In situ permeation study of drug through the stratum corneum using attenuated total reflectance [corrected] Fourier transform infrared spectroscopic imaging.

Journal: Journal of biomedical optics20090101

Title: Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging.

Journal: Journal of biomedical optics20090101

Title: Amphiphilic poly{[alpha-maleic anhydride-omega-methoxy-poly(ethylene glycol)]-co-(ethyl cyanoacrylate)} graft copolymer nanoparticles as carriers for transdermal drug delivery.

Journal: International journal of nanomedicine20090101

Title: Influence of nanosized delivery systems with benzyl nicotinate and penetration enhancers on skin oxygenation.

Journal: International journal of pharmaceutics20080709

Title: Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition.

Journal: Biopharmaceutics & drug disposition20080701

Title: Vascular disrupting action of electroporation and electrochemotherapy with bleomycin in murine sarcoma.

Journal: British journal of cancer20080129

Title: Importance of solid lipid nanoparticles (SLN) in various administration routes and future perspectives.

Journal: International journal of nanomedicine20070901

Title: Kinetics of blood flow after topical application of benzyl nicotinate on different anatomic sites.

Journal: Archives of dermatological research20061101

Title: Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability.

Journal: Journal of medicinal chemistry20060629

Title: In vivo study of liposomes as drug carriers to oral mucosa using EPR oximetry.

Journal: International journal of pharmaceutics20060103

Title: Comparison of blood flow to the cutaneous temperature and redness after topical application of benzyl nicotinate.

Journal: Journal of biomedical optics20060101

Title: In vivo study of different ointments for drug delivery into oral mucosa by EPR oximetry.

Journal: International journal of pharmaceutics20040211

Title: Skin oxygenation after topical application of liposome-entrapped benzyl nicotinate as measured by EPR oximetry in vivo: influence of composition and size.

Journal: AAPS pharmSci20030301

Title: Reduced blood flow and oxygenation in SA-1 tumours after electrochemotherapy with cisplatin.

Journal: British journal of cancer20021021

Title: Improved skin oxygenation after benzyl nicotinate application in different carriers as measured by EPR oximetry in vivo.

Journal: Journal of controlled release : official journal of the Controlled Release Society20010129

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