2-(3-Phenylpropyl)Pyridine

Base Information

• Chemical Name: 2-(3-Phenylpropyl)Pyridine
• CAS No.: 2110-18-1
• Molecular Formula: C14H15 N
• Molecular Weight: 197.28
• Hs Code.: 29333999
• European Community (EC) Number: 218-300-7
• UNII: 9F0BFM744F
• DSSTox Substance ID: DTXSID7042356
• Nikkaji Number: J298.703A
• Wikidata: Q27272464
• Metabolomics Workbench ID: 47236
• ChEMBL ID: CHEMBL3186957
• Mol file: 2110-18-1.mol

Synonyms:2-(3-Phenylpropyl)Pyridine;2110-18-1;Pyridine, 2-(3-phenylpropyl)-;cortex pyridine;FEMA No. 3751;9F0BFM744F;alpha-(3-Phenylpropyl)pyridine;DTXSID7042356;MFCD00191237;phenylpropylpyridine;3-phenylpropyl pyridine;UNII-9F0BFM744F;2-(3-phenylpropyl)-pyridine;SCHEMBL272616;2-(3-cyclohexylpropyl)pyridine;CHEMBL3186957;DTXCID5022356;FEMA 3751;CHEBI:180819;EINECS 218-300-7;Tox21_301773;AKOS000279623;2-(3-Phenylpropyl)pyridine, >=97%;SB52525;NCGC00255724-01;.ALPHA.-(3-PHENYLPROPYL)PYRIDINE;AS-59829;CAS-2110-18-1;2-(3-PHENYLPROPYL)PYRIDINE [FHFI];CS-0199027;FT-0608561;P1327;D92110;J-013845;Q27272464

Chemical Property of 2-(3-Phenylpropyl)Pyridine

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.00257mmHg at 25°C
• Refractive Index: n20/D 1.56(lit.)
• Boiling Point: 296.2°Cat760mmHg
• PKA: 5.80±0.12(Predicted)
• Flash Point: 121.7°C
• PSA: 12.89000
• Density: 1.023g/cm³
• LogP: 3.25690
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(3-Phenylpropyl)pyridine >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC2=CC=CC=N2

Technology Process of 2-(3-Phenylpropyl)Pyridine

There total 25 articles about 2-(3-Phenylpropyl)Pyridine 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: 96.0%

2-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) + benzaldehyde, hydrazone (5281-18-5) → 2-(3-phenylpropyl)pyridine (2110-18-1)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; 1,2-bis(dimethylphosphanyl)ethane; lithium tert-butoxide; In tetrahydrofuran; at 80 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1039/d0sc06586b

Reference yield: 93.0%

2-bromo-pyridine (109-04-6) + allylbenzene (300-57-2,57807-91-7) → 2-(3-phenylpropyl)pyridine (2110-18-1)

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; methyldiphenylsilane; 1,2-bis(bis(3,5-di-tert-butylphenyl)phosphino)benzene; briphos; copper (I) acetate; sodium trimethylsilanolate; In tetrahydrofuran; at 45 ℃; for 24h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/d1cc04833c

Reference yield: 85.0%

2-bromo-pyridine (109-04-6) + 1-Bromo-3-phenylpropane (637-59-2) → 2-(3-phenylpropyl)pyridine (2110-18-1)

Guidance literature:

With nickel(II) iodide; pyridine-2-carboxamidine hydrochloride; trifluoroacetic acid; sodium iodide; zinc; at 60 ℃; for 5h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.joc.7b01334

upstream raw materials:

α-picoline

styrene

2-phenylethyl chloride

2-vinylpyridine

Downstream raw materials:

1-phenyl-3-(pyridin-2-yl)propan-1-one

3-phenyl-1-(pyridin-2-yl)propan-1-one

2-[3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyridine

2-benzyl-3-(pyridin-2-yl)propan-1-ol

Refernces

• 1、 Ranjan, Prabhat,Pillitteri, Serena,Coppola, Guglielmo,Oliva, Monica,Van der Eycken, Erik V.,Sharma, Upendra K.. "Unlocking the Accessibility of Alkyl Radicals from Boronic Acids through Solvent-Assisted Organophotoredox Activation". . p. 10862 - 10870. Retrieved 2021/09/08.
• 2、 Biswas, Soumik,Qu, Bo,Desrosiers, Jean-Nicolas,Choi, Younggi,Haddad, Nizar,Yee, Nathan K.,Song, Jinghua J.,Senanayake, Chris H.. "Nickel-Catalyzed Cross-Electrophile Reductive Couplings of Neopentyl Bromides with Aryl Bromides". . p. 8214 - 8220. Retrieved 2020/07/25.