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952-92-1 | 1-Benzyl-1,4-dihydronicotinamide , 95%
CAS No: 952-92-1 Catalog No: AG003DZA MDL No:MFCD00059769
Product Description
Catalog Number:
AG003DZA
Chemical Name:
1-Benzyl-1,4-dihydronicotinamide , 95%
CAS Number:
952-92-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD00059769
IUPAC Name:
1-benzyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C13H14N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16)
InChI Key:
CMNUYDSETOTBDE-UHFFFAOYSA-N
SMILES:
NC(=O)C1=CN(C=CC1)Cc1ccccc1
UNII:
HSU8JA8RMP
NSC Number:
26899
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Magnetic nano-Fe3O4-supported 1-benzyl-1,4-dihydronicotinamide (BNAH): synthesis and application in the catalytic reduction of α,β-epoxy ketones. | Organic letters 20120302 |
| Cupric superoxo-mediated intermolecular C-H activation chemistry. | Journal of the American Chemical Society 20110216 |
| Old and new inhibitors of quinone reductase 2. | Chemico-biological interactions 20100730 |
| Sequential electron-transfer and proton-transfer pathways in hydride-transfer reactions from dihydronicotinamide adenine dinucleotide analogues to non-heme oxoiron(IV) complexes and p-chloranil. Detection of radical cations of NADH analogues in acid-promoted hydride-transfer reactions. | Journal of the American Chemical Society 20081112 |
| Electron-transfer and acid-base properties of a two-electron oxidized form of quaterpyrrole that acts as both an electron donor and an acceptor. | The journal of physical chemistry. A 20080221 |
| Supramolecular carbon nanotube-fullerene donor-acceptor hybrids for photoinduced electron transfer. | Journal of the American Chemical Society 20071226 |
| Nanostructural control of cup-stacked carbon nanotubes with 1-benzyl-1,4-dihydronicotinamide dimer via photoinduced electron transfer. | Chemical communications (Cambridge, England) 20070107 |
| Self-assembled single-walled carbon nanotube:zinc-porphyrin hybrids through ammonium ion-crown ether interaction: construction and electron transfer. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Mechanistic borderline between one-step hydrogen transfer and sequential transfers of electron and proton in reactions of NADH analogues with triplet excited states of tetrazines and Ru(bpy)(3)2+. | Journal of the American Chemical Society 20061108 |
| Negative kinetic temperature effect on the hydride transfer from NADH analogue BNAH to the radical cation of N-benzylphenothiazine in acetonitrile. | The Journal of organic chemistry 20060901 |
| Catalytic hydrogenation of alpha,beta-epoxy ketones to form beta-hydroxy ketones mediated by an NADH coenzyme model. | Organic letters 20060803 |
| Efficient photoreduction process of [Ru3(mu3-O)(mu-CH3CO2)6L3]+ by electron-mediation via the viologen dication by excitation of a zinc porphyrin. | Inorganic chemistry 20051114 |
| Hydroxyl radical generation via photoreduction of a simple pyridine N-oxide by an NADH analogue. | Organic & biomolecular chemistry 20050921 |
| Transition metal complexes coordinated by an NAD(P)H model compound and their enhanced hydride-donating abilities in the presence of a base. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050704 |
| Architecture of supramolecular metal complexes for photocatalytic CO2 reduction: ruthenium-rhenium bi- and tetranuclear complexes. | Inorganic chemistry 20050404 |
| Hydricities of BzNADH, CH5Mo(PMe3)(CO)2H, and C5Me5Mo(PMe3)(CO)2H in acetonitrile. | Journal of the American Chemical Society 20040310 |
| Reversed effects of DNA on hydride transfer and electron transfer reactions of acridinium and quinolinium ions. | Chemical communications (Cambridge, England) 20030807 |
| Mechanisms of electron-transfer oxidation of NADH analogues and chemiluminescence. Detection of the keto and enol radical cations. | Journal of the American Chemical Society 20030423 |
| Polysiloxane-supported NAD(P)H model 1-benzyl-1,4-dihydronicotinamide: synthesis and application in the reduction of activated olefins. | The Journal of organic chemistry 20030418 |
| Determination of the C4-H bond dissociation energies of NADH models and their radical cations in acetonitrile. | Chemistry (Weinheim an der Bergstrasse, Germany) 20030217 |
| Direct detection of radical cations of NADH analogues. | Journal of the American Chemical Society 20021211 |
| Bioorganometallic chemistry. 13. Regioselective reduction of NAD(+) models, 1-benzylnicotinamde triflate and beta-nicotinamide ribose-5'-methyl phosphate, with in situ generated [CpRh(Bpy)H](+): structure-activity relationships, kinetics, and mechanistic aspects in the formation of the 1,4-NADH derivatives. | Inorganic chemistry 20011217 |
| Metal ion-catalyzed cycloaddition vs hydride transfer reactions of NADH analogues with p-benzoquinones. | Journal of the American Chemical Society 20011024 |
| Photochemical generation of cyclopentadienyliron dicarbonyl anion by a nicotinamide adenine dinucleotide dimer analogue. | Inorganic chemistry 20010312 |
| Stereoselective reduction with NADH model BNAH through chiral induction in cyclodextrins. | Bioorganic chemistry 20010201 |
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