2-Propylpyridine

Base Information

• Chemical Name: 2-Propylpyridine
• CAS No.: 622-39-9
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 2933399090
• European Community (EC) Number: 210-732-4
• NSC Number: 966
• UNII: 3N6AX0B7PA
• DSSTox Substance ID: DTXSID2060751
• Nikkaji Number: J6.841A
• Wikidata: Q27257724
• Metabolomics Workbench ID: 45569
• ChEMBL ID: CHEMBL21824
• Mol file: 622-39-9.mol

Synonyms:2-Propylpyridine;622-39-9;2-n-Propylpyridine;Conyrine;Conyrin;Pyridine, 2-propyl-;1-(2-Pyridyl)propane;2-Propyl-pyridine;Pyridine, propyl-;2-propyl pyridine;Pyridine, 1-propyl-;UNII-3N6AX0B7PA;PYRIDINE, 1-PROPYL;3N6AX0B7PA;NSC 966;NSC-966;EINECS 210-732-4;MFCD00006368;propylpyridine;NSC966;1-Propyl-Pyridine;2-(C3H7)-pyridine;SCHEMBL10527;2-Propylpyridine, >=97%;CHEMBL21824;2-PROPYLPYRIDINE [FHFI];DTXSID2060751;FEMA NO. 4065;CHEBI:179425;AKOS015843336;RS-1034;SY035538;CS-0152409;FT-0613384;P0336;A25690;EN300-121954;W-105028;Q27257724;Z1255434741;2-propyl-pyridin

Chemical Property of 2-Propylpyridine

Chemical Property:

• Vapor Pressure: 2.29mmHg at 25°C
• Melting Point: 1°C
• Refractive Index: 1.495
• Boiling Point: 167 °C at 760 mmHg
• PKA: pK1:6.30(+1) (25°C)
• Flash Point: 56.1 °C
• PSA: 12.89000
• Density: 0.918 g/cm³
• LogP: 2.03410
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

2-Propylpyridine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC=CC=N1

Technology Process of 2-Propylpyridine

There total 45 articles about 2-Propylpyridine 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: 79.0%

2-Ethylpyridine (100-71-0) + Trimethylboroxine (823-96-1) → 2-propylpyridine (622-39-9) + 2-isobutyl-pyridine (6304-24-1)

Guidance literature:

With copper diacetate; oxygen; p-benzoquinone; palladium diacetate; In acetic acid; at 100 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/ja0646747

Reference yield: 61.0%

2-chloropyridine (109-09-1) + propyl bromide (106-94-5) → 2-propylpyridine (622-39-9)

Guidance literature:

With iron(III)-acetylacetonate; magnesium; In 1-methyl-pyrrolidin-2-one;

DOI:10.3762/bjoc.10.146

Reference yield: 50.0%

2-Pentanone (107-87-9) + propan-1-ol-3-amine (156-87-6) → 2-propylpyridine (622-39-9)

Guidance literature:

With [2,2]bipyridinyl; potassium tert-butylate; nickel dichloride; In toluene; at 130 ℃; for 36h; regioselective reaction; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1039/c8gc00318a

upstream raw materials:

pyridine

dibutyryl peroxide

butyric acid

α-picoline

Downstream raw materials:

2-isobutyl-pyridine

(R)-1-Benzyl-2-propyl-piperidine

dimethyl-{2-[3-(1-pyridin-2-yl-propyl)-inden-2-yl]-ethyl}-amine

rac-coniine

Refernces

• 1、 Zhu, Qilei,Nocera, Daniel G.. "Photocatalytic Hydromethylation and Hydroalkylation of Olefins Enabled by Titanium Dioxide Mediated Decarboxylation". supporting information. p. 17913 - 17918. Retrieved 2020/12/04.
• 2、 Singh, Khushboo,Vellakkaran, Mari,Banerjee, Debasis. "A nitrogen-ligated nickel-catalyst enables selective intermolecular cyclisation of β- And γ-amino alcohols with ketones: Access to five and six-membered N-heterocycles". supporting information. p. 2250 - 2256. Retrieved 2018/05/30.