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MedKoo Cat#: 591847 | Name: 2-Benzylpyridine
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

2-Benzylpyridine is an inducer of hepatic microsomal cytochrome P450.

Chemical Structure

2-Benzylpyridine
2-Benzylpyridine
CAS#101-82-6

Theoretical Analysis

MedKoo Cat#: 591847

Name: 2-Benzylpyridine

CAS#: 101-82-6

Chemical Formula: C12H11N

Exact Mass: 169.0891

Molecular Weight: 169.23

Elemental Analysis: C, 85.17; H, 6.55; N, 8.28

Price and Availability

Size Price Availability Quantity
1g USD 250.00 2 Weeks
5g USD 450.00 2 Weeks
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Related CAS #
No Data
Synonym
2-Benzylpyridine; AI3-11559; AI3 11559; AI311559
IUPAC/Chemical Name
2-Benzylpyridine
InChi Key
PCFUWBOSXMKGIP-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
SMILES Code
C1(CC2=CC=CC=C2)=NC=CC=C1
Appearance
Liquid
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 169.23 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Hu Q, Kondoh A, Terada M. Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase. Chem Sci. 2018 Apr 20;9(18):4348-4351. doi: 10.1039/c8sc00808f. eCollection 2018 May 14. PubMed PMID: 29780567; PubMed Central PMCID: PMC5944382. 2: Pintus A, Aragoni MC, Cinellu MA, Maiore L, Isaia F, Lippolis V, Orrù G, Tuveri E, Zucca A, Arca M. [Au(py(b)-H)(mnt)]: A novel gold(III) 1,2-dithiolene cyclometalated complex with antimicrobial activity (py(b)-H=C-deprotonated 2-benzylpyridine; mnt=1,2-dicyanoethene-1,2-dithiolate). J Inorg Biochem. 2017 May;170:188-194. doi: 10.1016/j.jinorgbio.2017.02.015. Epub 2017 Feb 22. PubMed PMID: 28260677. 3: Bertrand B, Spreckelmeyer S, Bodio E, Cocco F, Picquet M, Richard P, Le Gendre P, Orvig C, Cinellu MA, Casini A. Exploring the potential of gold(III) cyclometallated compounds as cytotoxic agents: variations on the C^N theme. Dalton Trans. 2015 Jul 14;44(26):11911-8. doi: 10.1039/c5dt01023c. Epub 2015 Jun 10. PubMed PMID: 26060937. 4: Kianmehr E, Faghih N, Khan KM. Palladium-catalyzed regioselective benzylation-annulation of pyridine N-oxides with toluene derivatives via multiple C-H bond activations: benzylation versus arylation. Org Lett. 2015 Feb 6;17(3):414-7. doi: 10.1021/ol503238a. Epub 2015 Jan 21. PubMed PMID: 25607468. 5: Mathammal R, Sudha N, Guru Prasad L, Ganga N, Krishnakumar V. Spectroscopic (FTIR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of 2-Benzylpyridine based on quantum chemical calculations. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 25;137:740-8. doi: 10.1016/j.saa.2014.08.099. Epub 2014 Sep 16. PubMed PMID: 25262142. 6: Itoh M, Hirano K, Satoh T, Miura M. Copper-catalyzed α-methylenation of benzylpyridines using dimethylacetamide as one-carbon source. Org Lett. 2014 Apr 4;16(7):2050-3. doi: 10.1021/ol500655k. Epub 2014 Mar 19. PubMed PMID: 24646166. 7: Graminha AE, Rodrigues C, Batista AA, Teixeira LR, Fagundes ES, Beraldo H. Ruthenium(II) complexes of 2-benzoylpyridine-derived thiosemicarbazones with cytotoxic activity against human tumor cell lines. Spectrochim Acta A Mol Biomol Spectrosc. 2008 Apr;69(4):1073-6. Epub 2007 Jun 9. PubMed PMID: 17706455. 8: Cong H, Tao LL, Yu YH, Tao Z, Yang F, Zhao YJ, Xue SF, Lawrance GA, Wei G. Interaction between tetramethylcucurbit[6]uril and some pyridine derivates. J Phys Chem A. 2007 Apr 12;111(14):2715-21. Epub 2007 Mar 22. PubMed PMID: 17388386. 9: Carson EC, Lippard SJ. Synthesis, characterization, and preliminary oxygenation studies of benzyl- and ethyl-substituted pyridine ligands of carboxylate-rich diiron(II) complexes. Inorg Chem. 2006 Jan 23;45(2):828-36. PubMed PMID: 16411721; PubMed Central PMCID: PMC2505187. 10: Carson EC, Lippard SJ. Oxidation of sulfide, phosphine, and benzyl substrates tethered to N-donor pyridine ligands in carboxylate-bridged diiron(II) complexes. J Am Chem Soc. 2004 Mar 24;126(11):3412-3. PubMed PMID: 15025454. 11: Enriquez AE, White PS, Templeton JL. Reactions of an amphoteric terminal tungsten methylidyne complex. J Am Chem Soc. 2001 May 30;123(21):4992-5002. PubMed PMID: 11457327. 12: Kobayashi Y, Matsuura Y, Kotani E, Iio T, Fukuda T, Aoyagi T, Tobinaga S, Yoshida T, Kuroiwa Y. Induction of hepatic microsomal cytochrome P450 and drug-metabolizing enzymes by 4-benzylpyridine and its structurally related compounds in rats. Dose- and sex-related differential induction of cytochrome P450 species. Biochem Pharmacol. 1992 May 28;43(10):2151-9. PubMed PMID: 1599503. 13: Franklin MR. Drug metabolizing enzyme induction by simple diaryl pyridines; 2-substituted isomers selectively increase only conjugation enzyme activities, 4-substituted isomers also induce cytochrome P450. Toxicol Appl Pharmacol. 1991 Oct;111(1):24-32. PubMed PMID: 1949033. 14: Hewitt LE, Wade DR, Sinsheimer JE, Wang JH, Drach JC, Burckhalter JH. alpha-(2-Pyridine)benzyl aryl ketones as potential hypocholesteremic agents. J Med Chem. 1978 Dec;21(12):1339-40. PubMed PMID: 722749.